Monday, October 31, 2011

All Chemical Compounds Information



Product OPENEYE NAME: (2-chlorocyclopentyl)sulfanyl acetate
CAS Name: acetic acid [(2-chlorocyclopentyl)thio] ester
IUPAC NAME: (2-chlorocyclopentyl)sulfanyl acetate
SYSTEMATIC NAME: (2-chloranylcyclopentyl)sulfanyl ethanoate
MOLECULAR FORMULA: C7H11ClO2S
MOLECULAR WEIGHT: 194.67904
SMILES: CC(=O)OSC1CCCC1Cl
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Product OPENEYE NAME: 2,6-diphenylcyclohexa-1,3-dien-1-ol
CAS Name: 2,6-diphenyl-1-cyclohexa-1,3-dienol
IUPAC NAME: 2,6-diphenylcyclohexa-1,3-dien-1-ol
SYSTEMATIC NAME: 2,6-diphenylcyclohexa-1,3-dien-1-ol
MOLECULAR FORMULA: C18H16O
MOLECULAR WEIGHT: 248.31904
SMILES: C1C=CC(=C(C1C2=CC=CC=C2)O)C3=CC=CC=C3
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Product OPENEYE NAME: (2-chlorocyclohexyl)sulfonyl acetate
CAS Name: acetic acid (2-chlorocyclohexyl)sulfonyl ester
IUPAC NAME: (2-chlorocyclohexyl)sulfonyl acetate
SYSTEMATIC NAME: (2-chloranylcyclohexyl)sulfonyl ethanoate
MOLECULAR FORMULA: C8H13ClO4S
MOLECULAR WEIGHT: 240.70442
SMILES: CC(=O)OS(=O)(=O)C1CCCCC1Cl
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Product OPENEYE NAME: 2-(2,4-ditert-butyl-3-sulfanyl-phenyl)cyclohexanol
CAS Name: 2-(2,4-ditert-butyl-3-mercaptophenyl)-1-cyclohexanol
IUPAC NAME: 2-(2,4-ditert-butyl-3-sulfanylphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(2,4-ditert-butyl-3-sulfanyl-phenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C20H32OS
MOLECULAR WEIGHT: 320.53248
SMILES: CC(C)(C)C1=C(C(=C(C=C1)C2CCCCC2O)C(C)(C)C)S
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Product OPENEYE NAME: 2-(2-hydroxycyclopentyl)sulfanylphenol
CAS Name: 2-[(2-hydroxycyclopentyl)thio]phenol
IUPAC NAME: 2-(2-hydroxycyclopentyl)sulfanylphenol
SYSTEMATIC NAME: 2-(2-oxidanylcyclopentyl)sulfanylphenol
MOLECULAR FORMULA: C11H14O2S
MOLECULAR WEIGHT: 210.29266
SMILES: C1CC(C(C1)SC2=CC=CC=C2O)O
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Product OPENEYE NAME: sulfanyl 2-cyclohexyl-2-thioxo-acetate
CAS Name: 2-cyclohexyl-2-sulfanylideneacetic acid mercapto ester
IUPAC NAME: sulfanyl 2-cyclohexyl-2-sulfanylideneacetate
SYSTEMATIC NAME: sulfanyl 2-cyclohexyl-2-sulfanylidene-ethanoate
MOLECULAR FORMULA: C8H12O2S2
MOLECULAR WEIGHT: 204.30968
SMILES: C1CCC(CC1)C(=S)C(=O)OS
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Product OPENEYE NAME: (2-chlorocyclohexyl)sulfanyl acetate
CAS Name: acetic acid [(2-chlorocyclohexyl)thio] ester
IUPAC NAME: (2-chlorocyclohexyl)sulfanyl acetate
SYSTEMATIC NAME: (2-chloranylcyclohexyl)sulfanyl ethanoate
MOLECULAR FORMULA: C8H13ClO2S
MOLECULAR WEIGHT: 208.70562
SMILES: CC(=O)OSC1CCCCC1Cl
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Product OPENEYE NAME: (4-hydroxy-3,5-diphenyl-phenyl)sulfanyl 2-cyclohexyl-2-oxo-acetate
CAS Name: 2-cyclohexyl-2-oxoacetic acid [(4-hydroxy-3,5-diphenylphenyl)thio] ester
IUPAC NAME: (4-hydroxy-3,5-diphenylphenyl)sulfanyl 2-cyclohexyl-2-oxoacetate
SYSTEMATIC NAME: (4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl 2-cyclohexyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C26H24O4S
MOLECULAR WEIGHT: 432.53136
SMILES: C1CCC(CC1)C(=O)C(=O)OSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[3-tert-butyl-1-(4-hydroxyphenyl)sulfanyl-cyclohexyl]sulfanyl-N-methyl-N-(3,4,4-trimethylpentyl)acetamide
CAS Name: 2-[[3-tert-butyl-1-[(4-hydroxyphenyl)thio]cyclohexyl]thio]-N-methyl-N-(3,4,4-trimethylpentyl)acetamide
IUPAC NAME: 2-[3-tert-butyl-1-(4-hydroxyphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(3,4,4-trimethylpentyl)acetamide
SYSTEMATIC NAME: 2-[3-tert-butyl-1-(4-hydroxyphenyl)sulfanyl-cyclohexyl]sulfanyl-N-methyl-N-(3,4,4-trimethylpentyl)ethanamide
MOLECULAR FORMULA: C27H45NO2S2
MOLECULAR WEIGHT: 479.7817
SMILES: CC(CCN(C)C(=O)CSC1(CCCC(C1)C(C)(C)C)SC2=CC=C(C=C2)O)C(C)(C)C
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Product OPENEYE NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-methyl-3-thioxo-piperazin-1-yl]-2-oxo-ethanethial
CAS Name: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methyl-3-sulfanylidene-1-piperazinyl]-2-oxoethanethial
IUPAC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methyl-3-sulfanylidenepiperazin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-methyl-3-sulfanylidene-piperazin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C27H40N2O2S2
MOLECULAR WEIGHT: 488.7487
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)N(CCN2C(=O)C=S)C)C3CCCCC3
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Product OPENEYE NAME: 2-[4-benzyl-2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-piperazin-1-yl]-2-oxo-ethanethial
CAS Name: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(phenylmethyl)-3-sulfanylidene-1-piperazinyl]-2-oxoethanethial
IUPAC NAME: 2-[4-benzyl-2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidenepiperazin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-(phenylmethyl)-3-sulfanylidene-piperazin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C33H44N2O2S2
MOLECULAR WEIGHT: 564.84466
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)N(CCN2C(=O)C=S)CC3=CC=CC=C3)C4CCCCC4
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Product OPENEYE NAME: 2,6-ditert-butyl-3-(2-chlorocyclopentyl)sulfanyl-phenol
CAS Name: 2,6-ditert-butyl-3-[(2-chlorocyclopentyl)thio]phenol
IUPAC NAME: 2,6-ditert-butyl-3-(2-chlorocyclopentyl)sulfanylphenol
SYSTEMATIC NAME: 2,6-ditert-butyl-3-(2-chloranylcyclopentyl)sulfanyl-phenol
MOLECULAR FORMULA: C19H29ClOS
MOLECULAR WEIGHT: 340.95096
SMILES: CC(C)(C)C1=C(C(=C(C=C1)SC2CCCC2Cl)C(C)(C)C)O
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Product OPENEYE NAME: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-1,4-dihydroisoquinolin-1-yl]-2-oxo-ethanethial
CAS Name: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxoethanethial
IUPAC NAME: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C31H39NO2S2
MOLECULAR WEIGHT: 521.77686
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=CC=CC=C3C(N(C2=S)C4CCCCC4)C(=O)C=S
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Product OPENEYE NAME: 2-(2-hydroxycyclohexyl)sulfanylphenol
CAS Name: 2-[(2-hydroxycyclohexyl)thio]phenol
IUPAC NAME: 2-(2-hydroxycyclohexyl)sulfanylphenol
SYSTEMATIC NAME: 2-(2-oxidanylcyclohexyl)sulfanylphenol
MOLECULAR FORMULA: C12H16O2S
MOLECULAR WEIGHT: 224.31924
SMILES: C1CCC(C(C1)O)SC2=CC=CC=C2O
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Product OPENEYE NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-(1-piperidyl)-3-thioxo-1-piperidyl]-2-oxo-ethanethial
CAS Name: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(1-piperidinyl)-3-sulfanylidene-1-piperidinyl]-2-oxoethanethial
IUPAC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-piperidin-1-yl-3-sulfanylidenepiperidin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-piperidin-1-yl-3-sulfanylidene-piperidin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C32H48N2O2S2
MOLECULAR WEIGHT: 556.86572
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)C(CCN2C(=O)C=S)N3CCCCC3)C4CCCCC4
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Product OPENEYE NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-1-piperidyl]-2-oxo-ethanethial
CAS Name: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1-piperidinyl]-2-oxoethanethial
IUPAC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidenepiperidin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanylidene-piperidin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C27H39NO2S2
MOLECULAR WEIGHT: 473.73406
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)CCCN2C(=O)C=S)C3CCCCC3
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Product OPENEYE NAME: (4-hydroxy-3,5-diphenyl-phenyl)sulfanyl 2-cyclopentyl-2-thioxo-acetate
CAS Name: 2-cyclopentyl-2-sulfanylideneacetic acid [(4-hydroxy-3,5-diphenylphenyl)thio] ester
IUPAC NAME: (4-hydroxy-3,5-diphenylphenyl)sulfanyl 2-cyclopentyl-2-sulfanylideneacetate
SYSTEMATIC NAME: (4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl 2-cyclopentyl-2-sulfanylidene-ethanoate
MOLECULAR FORMULA: C25H22O3S2
MOLECULAR WEIGHT: 434.57038
SMILES: C1CCC(C1)C(=S)C(=O)OSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4
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Product OPENEYE NAME: cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-acetate
CAS Name: 2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-mercaptoacetic acid cyclopentylsulfonyl ester
IUPAC NAME: cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-sulfanylacetate
SYSTEMATIC NAME: cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-ethanoate
MOLECULAR FORMULA: C21H30O5S2
MOLECULAR WEIGHT: 426.5899
SMILES: CC(C)(C)C1=CC(=C(C(=O)OS(=O)(=O)C2CCCC2)S)C=C(C1=O)C(C)(C)C
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Product OPENEYE NAME: (2-chlorocyclopentyl)sulfonyl acetate
CAS Name: acetic acid (2-chlorocyclopentyl)sulfonyl ester
IUPAC NAME: (2-chlorocyclopentyl)sulfonyl acetate
SYSTEMATIC NAME: (2-chloranylcyclopentyl)sulfonyl ethanoate
MOLECULAR FORMULA: C7H11ClO4S
MOLECULAR WEIGHT: 226.67784
SMILES: CC(=O)OS(=O)(=O)C1CCCC1Cl
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All Chemical Compounds Information



Product OPENEYE NAME: 3-[4-(3-aminophenyl)piperazin-1-yl]-5-chloro-1-propyl-3,4-dihydroquinolin-2-one
CAS Name: 3-[4-(3-aminophenyl)-1-piperazinyl]-5-chloro-1-propyl-3,4-dihydroquinolin-2-one
IUPAC NAME: 3-[4-(3-aminophenyl)piperazin-1-yl]-5-chloro-1-propyl-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 3-[4-(3-aminophenyl)piperazin-1-yl]-5-chloranyl-1-propyl-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C22H27ClN4O
MOLECULAR WEIGHT: 398.92898
SMILES: CCCN1C2=C(CC(C1=O)N3CCN(CC3)C4=CC(=CC=C4)N)C(=CC=C2)Cl
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Product OPENEYE NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-propyl-3,4-dihydroquinolin-2-one
CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-propyl-3,4-dihydroquinolin-2-one
IUPAC NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-propyl-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-propyl-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C22H26ClN3O
MOLECULAR WEIGHT: 383.91434
SMILES: CCCN1C2=CC=CC=C2CC(C1=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 3-bromo-1,4-dichloro-hexane
CAS Name: 3-bromo-1,4-dichlorohexane
IUPAC NAME: 3-bromo-1,4-dichlorohexane
SYSTEMATIC NAME: 3-bromanyl-1,4-bis(chloranyl)hexane
MOLECULAR FORMULA: C6H11BrCl2
MOLECULAR WEIGHT: 233.96154
SMILES: CCC(C(CCCl)Br)Cl
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Product OPENEYE NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one hydrochloride
CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one hydrochloride
IUPAC NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one hydrochloride
SYSTEMATIC NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one hydrochloride
MOLECULAR FORMULA: C23H29Cl2N3O2
MOLECULAR WEIGHT: 450.40126
SMILES: CCCN1C2=C(CC(C1=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=CC=C2)OC.Cl
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Product OPENEYE NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one
CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one
IUPAC NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 3-[4-(3-chlorophenyl)piperazin-1-yl]-5-methoxy-1-propyl-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C23H28ClN3O2
MOLECULAR WEIGHT: 413.94032
SMILES: CCCN1C2=C(CC(C1=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=CC=C2)OC
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Product OPENEYE NAME: (prop-2-enoylamino)-propyl-ammonium chloride
CAS Name: (1-oxoprop-2-enylamino)-propylammonium chloride
IUPAC NAME: (prop-2-enoylamino)-propylazanium chloride
SYSTEMATIC NAME: (prop-2-enoylamino)-propyl-azanium chloride
MOLECULAR FORMULA: C6H13ClN2O
MOLECULAR WEIGHT: 164.63322
SMILES: CCC[NH2+]NC(=O)C=C.[Cl-]
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Product OPENEYE NAME: N'-propylprop-2-enehydrazide
CAS Name: N'-propyl-2-propenehydrazide
IUPAC NAME: N'-propylprop-2-enehydrazide
SYSTEMATIC NAME: N'-propylprop-2-enehydrazide
MOLECULAR FORMULA: C6H12N2O
MOLECULAR WEIGHT: 128.17228
SMILES: CCCNNC(=O)C=C
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Product OPENEYE NAME: (prop-2-enoylamino)-[(E)-prop-1-enyl]ammonium chloride
CAS Name: (1-oxoprop-2-enylamino)-[(E)-prop-1-enyl]ammonium chloride
IUPAC NAME: (prop-2-enoylamino)-[(E)-prop-1-enyl]azanium chloride
SYSTEMATIC NAME: (prop-2-enoylamino)-[(E)-prop-1-enyl]azanium chloride
MOLECULAR FORMULA: C6H11ClN2O
MOLECULAR WEIGHT: 162.61734
SMILES: C/C=C/[NH2+]NC(=O)C=C.[Cl-]
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Product OPENEYE NAME: N'-[(E)-prop-1-enyl]prop-2-enehydrazide
CAS Name: N'-[(E)-prop-1-enyl]-2-propenehydrazide
IUPAC NAME: N'-[(E)-prop-1-enyl]prop-2-enehydrazide
SYSTEMATIC NAME: N'-[(E)-prop-1-enyl]prop-2-enehydrazide
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: C/C=C/NNC(=O)C=C
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Product OPENEYE NAME: 2-[3-cyclohexyl-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-thioxo-morpholin-4-yl]-2-oxo-ethanethial
CAS Name: 2-[3-cyclohexyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylidene-4-morpholinyl]-2-oxoethanethial
IUPAC NAME: 2-[3-cyclohexyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylidenemorpholin-4-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[3-cyclohexyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanylidene-morpholin-4-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C26H37NO3S2
MOLECULAR WEIGHT: 475.70688
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)OCCN2C(=O)C=S)C3CCCCC3
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Product OPENEYE NAME: 2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-[1-(2-pyridyl)ethyl]acetamide
CAS Name: 2-[[1-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-methyl-N-[1-(2-pyridinyl)ethyl]acetamide
IUPAC NAME: 2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)acetamide
SYSTEMATIC NAME: 2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-methyl-N-(1-pyridin-2-ylethyl)ethanamide
MOLECULAR FORMULA: C30H44N2OS2
MOLECULAR WEIGHT: 512.81316
SMILES: CC(C1=CC=CC=N1)N(C)C(=O)CSC2(CCCCC2)SC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C
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Product OPENEYE NAME: (4-hydroxy-3,5-diphenyl-phenyl)sulfanyl 2-oxo-2-tetrahydrofuran-3-yl-acetate
CAS Name: 2-oxo-2-(3-oxolanyl)acetic acid [(4-hydroxy-3,5-diphenylphenyl)thio] ester
IUPAC NAME: (4-hydroxy-3,5-diphenylphenyl)sulfanyl 2-oxo-2-(oxolan-3-yl)acetate
SYSTEMATIC NAME: (4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl 2-oxidanylidene-2-(oxolan-3-yl)ethanoate
MOLECULAR FORMULA: C24H20O5S
MOLECULAR WEIGHT: 420.4776
SMILES: C1COCC1C(=O)C(=O)OSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4
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Product OPENEYE NAME: (4-hydroxy-3,5-diphenyl-phenyl)sulfanyl 2-cyclohexyl-2-thioxo-acetate
CAS Name: 2-cyclohexyl-2-sulfanylideneacetic acid [(4-hydroxy-3,5-diphenylphenyl)thio] ester
IUPAC NAME: (4-hydroxy-3,5-diphenylphenyl)sulfanyl 2-cyclohexyl-2-sulfanylideneacetate
SYSTEMATIC NAME: (4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl 2-cyclohexyl-2-sulfanylidene-ethanoate
MOLECULAR FORMULA: C26H24O3S2
MOLECULAR WEIGHT: 448.59696
SMILES: C1CCC(CC1)C(=S)C(=O)OSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4
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Product OPENEYE NAME: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-hydroxy-tetrahydrofuran-2-thione
CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-hydroxy-2-oxolanethione
IUPAC NAME: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-hydroxyoxolane-2-thione
SYSTEMATIC NAME: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-oxidanyl-oxolane-2-thione
MOLECULAR FORMULA: C18H26O3S
MOLECULAR WEIGHT: 322.46224
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(CCOC2=S)O
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Product OPENEYE NAME: (2-chlorocyclohexyl)sulfinyl acetate
CAS Name: acetic acid (2-chlorocyclohexyl)sulfinyl ester
IUPAC NAME: (2-chlorocyclohexyl)sulfinyl acetate
SYSTEMATIC NAME: (2-chloranylcyclohexyl)sulfinyl ethanoate
MOLECULAR FORMULA: C8H13ClO3S
MOLECULAR WEIGHT: 224.70502
SMILES: CC(=O)OS(=O)C1CCCCC1Cl
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Product OPENEYE NAME: 2-(3,5-ditert-butyl-4-sulfanyl-phenyl)cyclohexanol
CAS Name: 2-(3,5-ditert-butyl-4-mercaptophenyl)-1-cyclohexanol
IUPAC NAME: 2-(3,5-ditert-butyl-4-sulfanylphenyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(3,5-ditert-butyl-4-sulfanyl-phenyl)cyclohexan-1-ol
MOLECULAR FORMULA: C20H32OS
MOLECULAR WEIGHT: 320.53248
SMILES: CC(C)(C)C1=CC(=CC(=C1S)C(C)(C)C)C2CCCCC2O
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Product OPENEYE NAME: 2-[2,4-dicyclohexyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-1-piperidyl]-2-oxo-ethanethial
CAS Name: 2-[2,4-dicyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1-piperidinyl]-2-oxoethanethial
IUPAC NAME: 2-[2,4-dicyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidenepiperidin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2,4-dicyclohexyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanylidene-piperidin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C33H49NO2S2
MOLECULAR WEIGHT: 555.87766
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)C(CCN2C(=O)C=S)C3CCCCC3)C4CCCCC4
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Product OPENEYE NAME: 2,6-ditert-butyl-3-(2-chlorocyclohexyl)sulfanyl-phenol
CAS Name: 2,6-ditert-butyl-3-[(2-chlorocyclohexyl)thio]phenol
IUPAC NAME: 2,6-ditert-butyl-3-(2-chlorocyclohexyl)sulfanylphenol
SYSTEMATIC NAME: 2,6-ditert-butyl-3-(2-chloranylcyclohexyl)sulfanyl-phenol
MOLECULAR FORMULA: C20H31ClOS
MOLECULAR WEIGHT: 354.97754
SMILES: CC(C)(C)C1=C(C(=C(C=C1)SC2CCCCC2Cl)C(C)(C)C)O
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Product OPENEYE NAME: 4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylate
CAS Name: 4,6-dimethyl-3,5-dinitro-5-pentyl-1-cyclohexa-1,3-dienecarboxylate
IUPAC NAME: 4,6-dimethyl-3,5-dinitro-5-pentylcyclohexa-1,3-diene-1-carboxylate
SYSTEMATIC NAME: 4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylate
MOLECULAR FORMULA: C14H19N2O6-
MOLECULAR WEIGHT: 311.31046
SMILES: CCCCCC1(C(C(=CC(=C1C)[N+](=O)[O-])C(=O)[O-])C)[N+](=O)[O-]
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Product OPENEYE NAME: 4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylic acid
CAS Name: 4,6-dimethyl-3,5-dinitro-5-pentyl-1-cyclohexa-1,3-dienecarboxylic acid
IUPAC NAME: 4,6-dimethyl-3,5-dinitro-5-pentylcyclohexa-1,3-diene-1-carboxylic acid
SYSTEMATIC NAME: 4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylic acid
MOLECULAR FORMULA: C14H20N2O6
MOLECULAR WEIGHT: 312.3184
SMILES: CCCCCC1(C(C(=CC(=C1C)[N+](=O)[O-])C(=O)O)C)[N+](=O)[O-]
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Product OPENEYE NAME: 2-propoxyethyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-propoxyethyl ester
IUPAC NAME: 2-propoxyethyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-propoxyethyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C12H14N2O7
MOLECULAR WEIGHT: 298.24876
SMILES: CCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3,7-dimethyloctyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 3,7-dimethyloctyl ester
IUPAC NAME: 3,7-dimethyloctyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 3,7-dimethyloctyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C17H24N2O6
MOLECULAR WEIGHT: 352.38226
SMILES: CC(C)CCCC(C)CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylate
CAS Name: 1-butyl-5-methyl-3,5-dinitro-1-cyclohex-2-enecarboxylate
IUPAC NAME: 1-butyl-5-methyl-3,5-dinitrocyclohex-2-ene-1-carboxylate
SYSTEMATIC NAME: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylate
MOLECULAR FORMULA: C12H17N2O6-
MOLECULAR WEIGHT: 285.27318
SMILES: CCCCC1(CC(CC(=C1)[N+](=O)[O-])(C)[N+](=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylic acid
CAS Name: 1-butyl-5-methyl-3,5-dinitro-1-cyclohex-2-enecarboxylic acid
IUPAC NAME: 1-butyl-5-methyl-3,5-dinitrocyclohex-2-ene-1-carboxylic acid
SYSTEMATIC NAME: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C12H18N2O6
MOLECULAR WEIGHT: 286.28112
SMILES: CCCCC1(CC(CC(=C1)[N+](=O)[O-])(C)[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 2-(2-butoxyethoxy)ethyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-(2-butoxyethoxy)ethyl ester
IUPAC NAME: 2-(2-butoxyethoxy)ethyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-(2-butoxyethoxy)ethyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H20N2O8
MOLECULAR WEIGHT: 356.3279
SMILES: CCCCOCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-hexoxyethoxy)ethyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-(2-hexoxyethoxy)ethyl ester
IUPAC NAME: 2-(2-hexoxyethoxy)ethyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-(2-hexoxyethoxy)ethyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C17H24N2O8
MOLECULAR WEIGHT: 384.38106
SMILES: CCCCCCOCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-methoxyethoxy)ethyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-(2-methoxyethoxy)ethyl ester
IUPAC NAME: 2-(2-methoxyethoxy)ethyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-(2-methoxyethoxy)ethyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C12H14N2O8
MOLECULAR WEIGHT: 314.24816
SMILES: COCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-4H-isoquinolin-1-one
CAS Name: 4-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-4H-isoquinolin-1-one
IUPAC NAME: 4-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-4H-isoquinolin-1-one
SYSTEMATIC NAME: 4-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-4H-isoquinolin-1-one
MOLECULAR FORMULA: C18H16ClNO3
MOLECULAR WEIGHT: 329.77754
SMILES: CC1=NC(=O)C2=CC(=C(C=C2C1C3=CC(=CC=C3)Cl)OC)OC
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Product OPENEYE NAME: 1-(3-chlorophenyl)-8-methoxy-4-methyl-5H-2,3-benzodiazepine
CAS Name: 1-(3-chlorophenyl)-8-methoxy-4-methyl-5H-2,3-benzodiazepine
IUPAC NAME: 1-(3-chlorophenyl)-8-methoxy-4-methyl-5H-2,3-benzodiazepine
SYSTEMATIC NAME: 1-(3-chlorophenyl)-8-methoxy-4-methyl-5H-2,3-benzodiazepine
MOLECULAR FORMULA: C17H15ClN2O
MOLECULAR WEIGHT: 298.7668
SMILES: CC1=NN=C(C2=C(C1)C=CC(=C2)OC)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: sodium nonyl 2-nonylnaphthalene-1-sulfonate
CAS Name: sodium 2-nonyl-1-naphthalenesulfonic acid nonyl ester
IUPAC NAME: sodium nonyl 2-nonylnaphthalene-1-sulfonate
SYSTEMATIC NAME: sodium nonyl 2-nonylnaphthalene-1-sulfonate
MOLECULAR FORMULA: C28H44NaO3S+
MOLECULAR WEIGHT: 483.70193
SMILES: CCCCCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)OCCCCCCCCC.[Na+]
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Product OPENEYE NAME: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-2-propoxy-propanoic acid
CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-2-propoxypropanoic acid
IUPAC NAME: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2-propoxypropanoic acid
SYSTEMATIC NAME: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-2-propoxy-propanoic acid
MOLECULAR FORMULA: C20H32O4S
MOLECULAR WEIGHT: 368.53068
SMILES: CCCOC(C)(C(=O)O)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 4-[5-(2,4-dichloroanilino)-2,2-dimethyl-3,5-dioxo-pentoxy]benzoic acid
CAS Name: 4-[5-(2,4-dichloroanilino)-2,2-dimethyl-3,5-dioxopentoxy]benzoic acid
IUPAC NAME: 4-[5-(2,4-dichloroanilino)-2,2-dimethyl-3,5-dioxopentoxy]benzoic acid
SYSTEMATIC NAME: 4-[5-[(2,4-dichlorophenyl)amino]-2,2-dimethyl-3,5-bis(oxidanylidene)pentoxy]benzoic acid
MOLECULAR FORMULA: C20H19Cl2NO5
MOLECULAR WEIGHT: 424.27456
SMILES: CC(C)(COC1=CC=C(C=C1)C(=O)O)C(=O)CC(=O)NC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: methyl 4-[5-(2,4-dichloroanilino)-2,2-dimethyl-3,5-dioxo-pentoxy]benzoate
CAS Name: 4-[5-(2,4-dichloroanilino)-2,2-dimethyl-3,5-dioxopentoxy]benzoic acid methyl ester
IUPAC NAME: methyl 4-[5-(2,4-dichloroanilino)-2,2-dimethyl-3,5-dioxopentoxy]benzoate
SYSTEMATIC NAME: methyl 4-[5-[(2,4-dichlorophenyl)amino]-2,2-dimethyl-3,5-bis(oxidanylidene)pentoxy]benzoate
MOLECULAR FORMULA: C21H21Cl2NO5
MOLECULAR WEIGHT: 438.30114
SMILES: CC(C)(COC1=CC=C(C=C1)C(=O)OC)C(=O)CC(=O)NC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N'-[2,4-dichloro-5-[4-(diethylamino)phenyl]-3-(3-oxopentanoyl)phenyl]acetohydrazide
CAS Name: N'-[2,4-dichloro-5-[4-(diethylamino)phenyl]-3-(1,3-dioxopentyl)phenyl]acetohydrazide
IUPAC NAME: N'-[2,4-dichloro-5-[4-(diethylamino)phenyl]-3-(3-oxopentanoyl)phenyl]acetohydrazide
SYSTEMATIC NAME: N'-[2,4-bis(chloranyl)-5-[4-(diethylamino)phenyl]-3-(3-oxidanylidenepentanoyl)phenyl]ethanehydrazide
MOLECULAR FORMULA: C23H27Cl2N3O3
MOLECULAR WEIGHT: 464.38478
SMILES: CCC(=O)CC(=O)C1=C(C(=CC(=C1Cl)NNC(=O)C)C2=CC=C(C=C2)N(CC)CC)Cl
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Product OPENEYE NAME: ethyl N-[5-(2,4-dichloroanilino)-3,5-dioxo-4-phenoxy-pentyl]carbamate
CAS Name: N-[5-(2,4-dichloroanilino)-3,5-dioxo-4-phenoxypentyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[5-(2,4-dichloroanilino)-3,5-dioxo-4-phenoxypentyl]carbamate
SYSTEMATIC NAME: ethyl N-[5-[(2,4-dichlorophenyl)amino]-3,5-bis(oxidanylidene)-4-phenoxy-pentyl]carbamate
MOLECULAR FORMULA: C20H20Cl2N2O5
MOLECULAR WEIGHT: 439.2892
SMILES: CCOC(=O)NCCC(=O)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC2=CC=CC=C2
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Product OPENEYE NAME: benzyl N-[5-(2,4-dichloroanilino)-3,5-dioxo-4-phenoxy-pentyl]carbamate
CAS Name: N-[5-(2,4-dichloroanilino)-3,5-dioxo-4-phenoxypentyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[5-(2,4-dichloroanilino)-3,5-dioxo-4-phenoxypentyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[5-[(2,4-dichlorophenyl)amino]-3,5-bis(oxidanylidene)-4-phenoxy-pentyl]carbamate
MOLECULAR FORMULA: C25H22Cl2N2O5
MOLECULAR WEIGHT: 501.35858
SMILES: C1=CC=C(C=C1)COC(=O)NCCC(=O)C(C(=O)NC2=C(C=C(C=C2)Cl)Cl)OC3=CC=CC=C3
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Product OPENEYE NAME: 5-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-dichlorophenyl)-3-oxo-2-phenoxy-pentanamide
CAS Name: 5-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-dichlorophenyl)-3-oxo-2-phenoxypentanamide
IUPAC NAME: 5-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-dichlorophenyl)-3-oxo-2-phenoxypentanamide
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-5-[[4-(diethylamino)phenyl]-ethanoyl-amino]-3-oxidanylidene-2-phenoxy-pentanamide
MOLECULAR FORMULA: C29H31Cl2N3O4
MOLECULAR WEIGHT: 556.48014
SMILES: CCN(CC)C1=CC=C(C=C1)N(CCC(=O)C(C(=O)NC2=C(C=C(C=C2)Cl)Cl)OC3=CC=CC=C3)C(=O)C
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Product OPENEYE NAME: N-[3-[4-(5-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)piperazin-1-yl]phenyl]acetamide hydrochloride
CAS Name: N-[3-[4-(5-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)-1-piperazinyl]phenyl]acetamide hydrochloride
IUPAC NAME: N-[3-[4-(5-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)piperazin-1-yl]phenyl]acetamide hydrochloride
SYSTEMATIC NAME: N-[3-[4-(5-chloranyl-2-oxidanylidene-1-propyl-3,4-dihydroquinolin-3-yl)piperazin-1-yl]phenyl]ethanamide hydrochloride
MOLECULAR FORMULA: C24H30Cl2N4O2
MOLECULAR WEIGHT: 477.4266
SMILES: CCCN1C2=C(CC(C1=O)N3CCN(CC3)C4=CC(=CC=C4)NC(=O)C)C(=CC=C2)Cl.Cl
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Product OPENEYE NAME: N-[3-[4-(5-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)piperazin-1-yl]phenyl]acetamide
CAS Name: N-[3-[4-(5-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)-1-piperazinyl]phenyl]acetamide
IUPAC NAME: N-[3-[4-(5-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-3-yl)piperazin-1-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[3-[4-(5-chloranyl-2-oxidanylidene-1-propyl-3,4-dihydroquinolin-3-yl)piperazin-1-yl]phenyl]ethanamide
MOLECULAR FORMULA: C24H29ClN4O2
MOLECULAR WEIGHT: 440.96566
SMILES: CCCN1C2=C(CC(C1=O)N3CCN(CC3)C4=CC(=CC=C4)NC(=O)C)C(=CC=C2)Cl
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Product OPENEYE NAME: 2-[(4,5-difluoro-3-hydroxy-2-thienyl)methyl]butanoic acid
CAS Name: 2-[(4,5-difluoro-3-hydroxy-2-thiophenyl)methyl]butanoic acid
IUPAC NAME: 2-[(4,5-difluoro-3-hydroxythiophen-2-yl)methyl]butanoic acid
SYSTEMATIC NAME: 2-[[4,5-bis(fluoranyl)-3-oxidanyl-thiophen-2-yl]methyl]butanoic acid
MOLECULAR FORMULA: C9H10F2O3S
MOLECULAR WEIGHT: 236.235706
SMILES: CCC(CC1=C(C(=C(S1)F)F)O)C(=O)O
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Product OPENEYE NAME: 3-(3,4-difluoro-2-pyridyl)propanoic acid
CAS Name: 3-(3,4-difluoro-2-pyridinyl)propanoic acid
IUPAC NAME: 3-(3,4-difluoropyridin-2-yl)propanoic acid
SYSTEMATIC NAME: 3-[3,4-bis(fluoranyl)pyridin-2-yl]propanoic acid
MOLECULAR FORMULA: C8H7F2NO2
MOLECULAR WEIGHT: 187.143486
SMILES: C1=CN=C(C(=C1F)F)CCC(=O)O
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Product OPENEYE NAME: 2,3-difluoro-2-hydroxy-3-(4-pyridyl)pentanoate
CAS Name: 2,3-difluoro-2-hydroxy-3-pyridin-4-ylpentanoate
IUPAC NAME: 2,3-difluoro-2-hydroxy-3-pyridin-4-ylpentanoate
SYSTEMATIC NAME: 2,3-bis(fluoranyl)-2-oxidanyl-3-pyridin-4-yl-pentanoate
MOLECULAR FORMULA: C10H10F2NO3-
MOLECULAR WEIGHT: 230.188106
SMILES: CCC(C1=CC=NC=C1)(C(C(=O)[O-])(O)F)F
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Product OPENEYE NAME: 2,3-difluoro-2-hydroxy-3-(4-pyridyl)pentanoic acid
CAS Name: 2,3-difluoro-2-hydroxy-3-pyridin-4-ylpentanoic acid
IUPAC NAME: 2,3-difluoro-2-hydroxy-3-pyridin-4-ylpentanoic acid
SYSTEMATIC NAME: 2,3-bis(fluoranyl)-2-oxidanyl-3-pyridin-4-yl-pentanoic acid
MOLECULAR FORMULA: C10H11F2NO3
MOLECULAR WEIGHT: 231.196046
SMILES: CCC(C1=CC=NC=C1)(C(C(=O)O)(O)F)F
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Product OPENEYE NAME: 2-ethylhexyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-ethylhexyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H20N2O6
MOLECULAR WEIGHT: 324.3291
SMILES: CCCCC(CC)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N,N-bis(2-ethylhexyl)-3,5-dinitro-benzamide
CAS Name: N,N-bis(2-ethylhexyl)-3,5-dinitrobenzamide
IUPAC NAME: N,N-bis(2-ethylhexyl)-3,5-dinitrobenzamide
SYSTEMATIC NAME: N,N-bis(2-ethylhexyl)-3,5-dinitro-benzamide
MOLECULAR FORMULA: C23H37N3O5
MOLECULAR WEIGHT: 435.55698
SMILES: CCCCC(CC)CN(CC(CC)CCCC)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate
CAS Name: 1-butyl-6-methyl-3,5-dinitro-1-cyclohexa-2,4-dienecarboxylate
IUPAC NAME: 1-butyl-6-methyl-3,5-dinitrocyclohexa-2,4-diene-1-carboxylate
SYSTEMATIC NAME: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate
MOLECULAR FORMULA: C12H15N2O6-
MOLECULAR WEIGHT: 283.2573
SMILES: CCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid
CAS Name: 1-butyl-6-methyl-3,5-dinitro-1-cyclohexa-2,4-dienecarboxylic acid
IUPAC NAME: 1-butyl-6-methyl-3,5-dinitrocyclohexa-2,4-diene-1-carboxylic acid
SYSTEMATIC NAME: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C12H16N2O6
MOLECULAR WEIGHT: 284.26524
SMILES: CCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 3,5-dinitro-2-octyl-benzoate
CAS Name: 3,5-dinitro-2-octylbenzoate
IUPAC NAME: 3,5-dinitro-2-octylbenzoate
SYSTEMATIC NAME: 3,5-dinitro-2-octyl-benzoate
MOLECULAR FORMULA: C15H19N2O6-
MOLECULAR WEIGHT: 323.32116
SMILES: CCCCCCCCC1=C(C=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dinitro-2-octyl-benzoic acid
CAS Name: 3,5-dinitro-2-octylbenzoic acid
IUPAC NAME: 3,5-dinitro-2-octylbenzoic acid
SYSTEMATIC NAME: 3,5-dinitro-2-octyl-benzoic acid
MOLECULAR FORMULA: C15H20N2O6
MOLECULAR WEIGHT: 324.3291
SMILES: CCCCCCCCC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-3,5-dinitro-2-pentyl-benzoate
CAS Name: 4-methyl-3,5-dinitro-2-pentylbenzoate
IUPAC NAME: 4-methyl-3,5-dinitro-2-pentylbenzoate
SYSTEMATIC NAME: 4-methyl-3,5-dinitro-2-pentyl-benzoate
MOLECULAR FORMULA: C13H15N2O6-
MOLECULAR WEIGHT: 295.268
SMILES: CCCCCC1=C(C(=C(C=C1C(=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-3,5-dinitro-2-pentyl-benzoic acid
CAS Name: 4-methyl-3,5-dinitro-2-pentylbenzoic acid
IUPAC NAME: 4-methyl-3,5-dinitro-2-pentylbenzoic acid
SYSTEMATIC NAME: 4-methyl-3,5-dinitro-2-pentyl-benzoic acid
MOLECULAR FORMULA: C13H16N2O6
MOLECULAR WEIGHT: 296.27594
SMILES: CCCCCC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])C)[N+](=O)[O-]
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Product OPENEYE NAME: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate
CAS Name: 1-butyl-6-ethyl-3,5-dinitro-1-cyclohexa-2,4-dienecarboxylate
IUPAC NAME: 1-butyl-6-ethyl-3,5-dinitrocyclohexa-2,4-diene-1-carboxylate
SYSTEMATIC NAME: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate
MOLECULAR FORMULA: C13H17N2O6-
MOLECULAR WEIGHT: 297.28388
SMILES: CCCCC1(C=C(C=C(C1CC)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid
CAS Name: 1-butyl-6-ethyl-3,5-dinitro-1-cyclohexa-2,4-dienecarboxylic acid
IUPAC NAME: 1-butyl-6-ethyl-3,5-dinitrocyclohexa-2,4-diene-1-carboxylic acid
SYSTEMATIC NAME: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: CCCCC1(C=C(C=C(C1CC)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylate
CAS Name: 6-methyl-3,5-dinitro-1-pentyl-1-cyclohexa-2,4-dienecarboxylate
IUPAC NAME: 6-methyl-3,5-dinitro-1-pentylcyclohexa-2,4-diene-1-carboxylate
SYSTEMATIC NAME: 6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylate
MOLECULAR FORMULA: C13H17N2O6-
MOLECULAR WEIGHT: 297.28388
SMILES: CCCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylic acid
CAS Name: 6-methyl-3,5-dinitro-1-pentyl-1-cyclohexa-2,4-dienecarboxylic acid
IUPAC NAME: 6-methyl-3,5-dinitro-1-pentylcyclohexa-2,4-diene-1-carboxylic acid
SYSTEMATIC NAME: 6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: CCCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 2-hexoxyethyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-hexoxyethyl ester
IUPAC NAME: 2-hexoxyethyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-hexoxyethyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H20N2O7
MOLECULAR WEIGHT: 340.3285
SMILES: CCCCCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-propoxyethoxy)ethyl 3,5-dinitrobenzoate
CAS Name: 3,5-dinitrobenzoic acid 2-(2-propoxyethoxy)ethyl ester
IUPAC NAME: 2-(2-propoxyethoxy)ethyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-(2-propoxyethoxy)ethyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C14H18N2O8
MOLECULAR WEIGHT: 342.30132
SMILES: CCCOCCOCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-hydrazino-3-oxo-propyl)thiophene-2-sulfonamide
CAS Name: N-(3-hydrazinyl-3-oxopropyl)-2-thiophenesulfonamide
IUPAC NAME: N-(3-hydrazinyl-3-oxopropyl)thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(3-diazanyl-3-oxidanylidene-propyl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C7H11N3O3S2
MOLECULAR WEIGHT: 249.31054
SMILES: C1=CSC(=C1)S(=O)(=O)NCCC(=O)NN
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Product OPENEYE NAME: N-amino-N-(methanesulfonamido)-3-oxo-cyclohexa-1,5-diene-1-carboxamide
CAS Name: N-amino-N-(methanesulfonamido)-3-oxo-1-cyclohexa-1,5-dienecarboxamide
IUPAC NAME: N-amino-N-(methanesulfonamido)-3-oxocyclohexa-1,5-diene-1-carboxamide
SYSTEMATIC NAME: N-azanyl-N-(methylsulfonylamino)-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide
MOLECULAR FORMULA: C8H11N3O4S
MOLECULAR WEIGHT: 245.25564
SMILES: CS(=O)(=O)NN(C(=O)C1=CC(=O)CC=C1)N
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Product OPENEYE NAME: N-(1-benzyl-2-hydrazino-2-oxo-ethyl)methanesulfonamide
CAS Name: N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)methanesulfonamide
IUPAC NAME: N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)methanesulfonamide
SYSTEMATIC NAME: N-(1-diazanyl-1-oxidanylidene-3-phenyl-propan-2-yl)methanesulfonamide
MOLECULAR FORMULA: C10H15N3O3S
MOLECULAR WEIGHT: 257.3094
SMILES: CS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)NN
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Product OPENEYE NAME: ethoxy-(2-hydrazino-2-oxo-ethyl)phosphinic acid
CAS Name: ethoxy-(2-hydrazinyl-2-oxoethyl)phosphinic acid
IUPAC NAME: ethoxy-(2-hydrazinyl-2-oxoethyl)phosphinic acid
SYSTEMATIC NAME: (2-diazanyl-2-oxidanylidene-ethyl)-ethoxy-phosphinic acid
MOLECULAR FORMULA: C4H11N2O4P
MOLECULAR WEIGHT: 182.114901
SMILES: CCOP(=O)(CC(=O)NN)O
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Product OPENEYE NAME: 2-(2-thienylmethoxy)acetohydrazide
CAS Name: 2-(thiophen-2-ylmethoxy)acetohydrazide
IUPAC NAME: 2-(thiophen-2-ylmethoxy)acetohydrazide
SYSTEMATIC NAME: 2-(thiophen-2-ylmethoxy)ethanehydrazide
MOLECULAR FORMULA: C7H10N2O2S
MOLECULAR WEIGHT: 186.2315
SMILES: C1=CSC(=C1)COCC(=O)NN
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Product OPENEYE NAME: (2-thienylmethylamino) propanoate
CAS Name: propanoic acid (thiophen-2-ylmethylamino) ester
IUPAC NAME: (thiophen-2-ylmethylamino) propanoate
SYSTEMATIC NAME: (thiophen-2-ylmethylamino) propanoate
MOLECULAR FORMULA: C8H11NO2S
MOLECULAR WEIGHT: 185.24344
SMILES: CCC(=O)ONCC1=CC=CS1
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Product OPENEYE NAME: O1-ethyl O3-(4-pyridyl) 2,2-diethylpropanedioate
CAS Name: 2,2-diethylpropanedioic acid O1-ethyl ester O3-pyridin-4-yl ester
IUPAC NAME: 1-O-ethyl 3-O-pyridin-4-yl 2,2-diethylpropanedioate
SYSTEMATIC NAME: O1-ethyl O3-pyridin-4-yl 2,2-diethylpropanedioate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CCC(CC)(C(=O)OCC)C(=O)OC1=CC=NC=C1
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Product OPENEYE NAME: O1-ethyl O3-(2-pyridyl) 2,2-diethylpropanedioate
CAS Name: 2,2-diethylpropanedioic acid O1-ethyl ester O3-(2-pyridinyl) ester
IUPAC NAME: 1-O-ethyl 3-O-pyridin-2-yl 2,2-diethylpropanedioate
SYSTEMATIC NAME: O1-ethyl O3-pyridin-2-yl 2,2-diethylpropanedioate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CCC(CC)(C(=O)OCC)C(=O)OC1=CC=CC=N1
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Product OPENEYE NAME: 2-thienylmethylsulfanyl propanoate
CAS Name: propanoic acid (thiophen-2-ylmethylthio) ester
IUPAC NAME: thiophen-2-ylmethylsulfanyl propanoate
SYSTEMATIC NAME: thiophen-2-ylmethylsulfanyl propanoate
MOLECULAR FORMULA: C8H10O2S2
MOLECULAR WEIGHT: 202.2938
SMILES: CCC(=O)OSCC1=CC=CS1
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Product OPENEYE NAME: 3-(2-thienylmethylamino)propanehydrazide
CAS Name: 3-(thiophen-2-ylmethylamino)propanehydrazide
IUPAC NAME: 3-(thiophen-2-ylmethylamino)propanehydrazide
SYSTEMATIC NAME: 3-(thiophen-2-ylmethylamino)propanehydrazide
MOLECULAR FORMULA: C8H13N3OS
MOLECULAR WEIGHT: 199.27332
SMILES: C1=CSC(=C1)CNCCC(=O)NN
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Product OPENEYE NAME: (2-furylmethylamino) propanoate
CAS Name: propanoic acid (2-furanylmethylamino) ester
IUPAC NAME: (furan-2-ylmethylamino) propanoate
SYSTEMATIC NAME: (furan-2-ylmethylamino) propanoate
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CCC(=O)ONCC1=CC=CO1
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Product OPENEYE NAME: 3-(5-ethyl-3,4-difluoro-2-pyridyl)propanoate
CAS Name: 3-(5-ethyl-3,4-difluoro-2-pyridinyl)propanoate
IUPAC NAME: 3-(5-ethyl-3,4-difluoropyridin-2-yl)propanoate
SYSTEMATIC NAME: 3-[5-ethyl-3,4-bis(fluoranyl)pyridin-2-yl]propanoate
MOLECULAR FORMULA: C10H10F2NO2-
MOLECULAR WEIGHT: 214.188706
SMILES: CCC1=CN=C(C(=C1F)F)CCC(=O)[O-]
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Product OPENEYE NAME: 3-(5-ethyl-3,4-difluoro-2-pyridyl)propanoic acid
CAS Name: 3-(5-ethyl-3,4-difluoro-2-pyridinyl)propanoic acid
IUPAC NAME: 3-(5-ethyl-3,4-difluoropyridin-2-yl)propanoic acid
SYSTEMATIC NAME: 3-[5-ethyl-3,4-bis(fluoranyl)pyridin-2-yl]propanoic acid
MOLECULAR FORMULA: C10H11F2NO2
MOLECULAR WEIGHT: 215.196646
SMILES: CCC1=CN=C(C(=C1F)F)CCC(=O)O
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Product OPENEYE NAME: 3-(2,3-difluoro-4-pyridyl)propanoic acid
CAS Name: 3-(2,3-difluoro-4-pyridinyl)propanoic acid
IUPAC NAME: 3-(2,3-difluoropyridin-4-yl)propanoic acid
SYSTEMATIC NAME: 3-[2,3-bis(fluoranyl)pyridin-4-yl]propanoic acid
MOLECULAR FORMULA: C8H7F2NO2
MOLECULAR WEIGHT: 187.143486
SMILES: C1=CN=C(C(=C1CCC(=O)O)F)F
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Product OPENEYE NAME: 2-pyridylmethylsulfanyl propanoate
CAS Name: propanoic acid (2-pyridinylmethylthio) ester
IUPAC NAME: pyridin-2-ylmethylsulfanyl propanoate
SYSTEMATIC NAME: pyridin-2-ylmethylsulfanyl propanoate
MOLECULAR FORMULA: C9H11NO2S
MOLECULAR WEIGHT: 197.25414
SMILES: CCC(=O)OSCC1=CC=CC=N1
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Product OPENEYE NAME: 2-[(4,5-difluoro-3-hydroxy-2-thienyl)methyl]butanoate
CAS Name: 2-[(4,5-difluoro-3-hydroxy-2-thiophenyl)methyl]butanoate
IUPAC NAME: 2-[(4,5-difluoro-3-hydroxythiophen-2-yl)methyl]butanoate
SYSTEMATIC NAME: 2-[[4,5-bis(fluoranyl)-3-oxidanyl-thiophen-2-yl]methyl]butanoate
MOLECULAR FORMULA: C9H9F2O3S-
MOLECULAR WEIGHT: 235.227766
SMILES: CCC(CC1=C(C(=C(S1)F)F)O)C(=O)[O-]
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Product OPENEYE NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[3-(o-tolyl)prop-2-ynoxy]phenyl]-2-oxo-acetic acid
CAS Name: 2-[3-[(2,2-dimethyl-1-oxobutoxy)methyl]-2-[3-(2-methylphenyl)prop-2-ynoxy]phenyl]-2-oxoacetic acid
IUPAC NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[3-(2-methylphenyl)prop-2-ynoxy]phenyl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[3-(2-methylphenyl)prop-2-ynoxy]phenyl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C25H26O6
MOLECULAR WEIGHT: 422.47034
SMILES: CCC(C)(C)C(=O)OCC1=CC=CC(=C1OCC#CC2=CC=CC=C2C)C(=O)C(=O)O
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Product OPENEYE NAME: 3-(4-acetyl-3-hydroxy-phenoxy)propyl 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid 3-(4-acetyl-3-hydroxyphenoxy)propyl ester
IUPAC NAME: 3-(4-acetyl-3-hydroxyphenoxy)propyl 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: 3-(4-ethanoyl-3-oxidanyl-phenoxy)propyl 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C19H18O7
MOLECULAR WEIGHT: 358.34202
SMILES: CC(=O)C1=C(C=C(C=C1)OCCCOOC(=O)C(=O)C2=CC=CC=C2)O
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Product OPENEYE NAME: [3-(2-methylphenoxy)-2-[2-oxo-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetyl]oxy-propyl] 2,2-dimethylbutanoate
CAS Name: 2,2-dimethylbutanoic acid [2-[1,2-dioxo-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)ethoxy]-3-(2-methylphenoxy)propyl] ester
IUPAC NAME: [3-(2-methylphenoxy)-2-[2-oxo-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetyl]oxypropyl] 2,2-dimethylbutanoate
SYSTEMATIC NAME: [3-(2-methylphenoxy)-2-[2-oxidanylidene-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)ethanoyl]oxy-propyl] 2,2-dimethylbutanoate
MOLECULAR FORMULA: C24H26O6S
MOLECULAR WEIGHT: 442.52464
SMILES: CCC(C)(C)C(=O)OCC(COC1=CC=CC=C1C)OC(=O)C(=O)C2=C3C(=CC=C2)S3
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Product OPENEYE NAME: (E)-1-(4-fluorophenyl)-3-(1H-indol-2-yl)-4-methyl-pent-1-en-3-ol
CAS Name: (E)-1-(4-fluorophenyl)-3-(1H-indol-2-yl)-4-methyl-1-penten-3-ol
IUPAC NAME: (E)-1-(4-fluorophenyl)-3-(1H-indol-2-yl)-4-methylpent-1-en-3-ol
SYSTEMATIC NAME: (E)-1-(4-fluorophenyl)-3-(1H-indol-2-yl)-4-methyl-pent-1-en-3-ol
MOLECULAR FORMULA: C20H20FNO
MOLECULAR WEIGHT: 309.377303
SMILES: CC(C)C(/C=C/C1=CC=C(C=C1)F)(C2=CC3=CC=CC=C3N2)O
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Product OPENEYE NAME: (6-methyl-6-prop-1-ynyl-1-tetrahydropyran-2-yloxy-cyclohexa-2,4-dien-1-yl)methanol
CAS Name: [6-methyl-1-(2-oxanyloxy)-6-prop-1-ynyl-1-cyclohexa-2,4-dienyl]methanol
IUPAC NAME: [6-methyl-1-(oxan-2-yloxy)-6-prop-1-ynylcyclohexa-2,4-dien-1-yl]methanol
SYSTEMATIC NAME: [6-methyl-1-(oxan-2-yloxy)-6-prop-1-ynyl-cyclohexa-2,4-dien-1-yl]methanol
MOLECULAR FORMULA: C16H22O3
MOLECULAR WEIGHT: 262.34408
SMILES: CC#CC1(C=CC=CC1(CO)OC2CCCCO2)C
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Product OPENEYE NAME: 2-(4-fluorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-(4-fluorophenoxy)ethyl ester
IUPAC NAME: 2-(4-fluorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-(4-fluoranylphenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C16H11FO5
MOLECULAR WEIGHT: 302.253943
SMILES: C1=CC(=C2C(=C1)O2)C(=O)C(=O)OCCOC3=CC=C(C=C3)F
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Product OPENEYE NAME: phenoxymethyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid phenoxymethyl ester
IUPAC NAME: phenoxymethyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: phenoxymethyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C15H12O4
MOLECULAR WEIGHT: 256.25338
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OCOC2=CC=CC=C2
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Product OPENEYE NAME: tert-butoxycarbonyl 2-(4-hydroxyphenyl)acetate
CAS Name: 2-(4-hydroxyphenyl)acetic acid [(2-methylpropan-2-yl)oxy-oxomethyl] ester
IUPAC NAME: (2-methylpropan-2-yl)oxycarbonyl 2-(4-hydroxyphenyl)acetate
SYSTEMATIC NAME: (2-methylpropan-2-yl)oxycarbonyl 2-(4-hydroxyphenyl)ethanoate
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: CC(C)(C)OC(=O)OC(=O)CC1=CC=C(C=C1)O
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Product OPENEYE NAME: 1-ethyl-2-[2-(trifluoromethyl)phenyl]piperazine
CAS Name: 1-ethyl-2-[2-(trifluoromethyl)phenyl]piperazine
IUPAC NAME: 1-ethyl-2-[2-(trifluoromethyl)phenyl]piperazine
SYSTEMATIC NAME: 1-ethyl-2-[2-(trifluoromethyl)phenyl]piperazine
MOLECULAR FORMULA: C13H17F3N2
MOLECULAR WEIGHT: 258.28269
SMILES: CCN1CCNCC1C2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: 2-amino-2-[4-ethoxy-2-(2-naphthyloxy)phenyl]acetic acid
CAS Name: 2-amino-2-[4-ethoxy-2-(2-naphthalenyloxy)phenyl]acetic acid
IUPAC NAME: 2-amino-2-(4-ethoxy-2-naphthalen-2-yloxyphenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(4-ethoxy-2-naphthalen-2-yloxy-phenyl)ethanoic acid
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CCOC1=CC(=C(C=C1)C(C(=O)O)N)OC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: N-[2-(dimethylamino)ethyl]-2-[4-ethoxy-2-(2-naphthyloxy)phenyl]-2-oxo-acetamide
CAS Name: N-[2-(dimethylamino)ethyl]-2-[4-ethoxy-2-(2-naphthalenyloxy)phenyl]-2-oxoacetamide
IUPAC NAME: N-[2-(dimethylamino)ethyl]-2-(4-ethoxy-2-naphthalen-2-yloxyphenyl)-2-oxoacetamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-(4-ethoxy-2-naphthalen-2-yloxy-phenyl)-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: CCOC1=CC(=C(C=C1)C(=O)C(=O)NCCN(C)C)OC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[(E)-3-(o-tolyl)allyloxy]phenyl]-2-oxo-acetic acid
CAS Name: 2-[3-[(2,2-dimethyl-1-oxobutoxy)methyl]-2-[(E)-3-(2-methylphenyl)prop-2-enoxy]phenyl]-2-oxoacetic acid
IUPAC NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[(E)-3-(2-methylphenyl)prop-2-enoxy]phenyl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[(E)-3-(2-methylphenyl)prop-2-enoxy]phenyl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C25H28O6
MOLECULAR WEIGHT: 424.48622
SMILES: CCC(C)(C)C(=O)OCC1=CC=CC(=C1OC/C=C/C2=CC=CC=C2C)C(=O)C(=O)O
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Product OPENEYE NAME: 2-[3-[2-(2-naphthyloxy)ethoxy]-2-oxo-3-pyridyl]acetic acid
CAS Name: 2-[3-[2-(2-naphthalenyloxy)ethoxy]-2-oxo-3-pyridinyl]acetic acid
IUPAC NAME: 2-[3-(2-naphthalen-2-yloxyethoxy)-2-oxopyridin-3-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(2-naphthalen-2-yloxyethoxy)-2-oxidanylidene-pyridin-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H17NO5
MOLECULAR WEIGHT: 339.34198
SMILES: C1=CC=C2C=C(C=CC2=C1)OCCOC3(C=CC=NC3=O)CC(=O)O
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Product OPENEYE NAME: [(E)-3-(1-naphthyl)allyl] 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid [(E)-3-(1-naphthalenyl)prop-2-enyl] ester
IUPAC NAME: [(E)-3-naphthalen-1-ylprop-2-enyl] 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: [(E)-3-naphthalen-1-ylprop-2-enyl] 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C21H14O4
MOLECULAR WEIGHT: 330.33346
SMILES: C1=CC=C2C(=C1)C=CC=C2/C=C/COC(=O)C(=O)C3=C4C(=CC=C3)O4
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Product OPENEYE NAME: 2-[2-(2,6-dimethoxycyclohexa-1,5-dien-1-yl)oxyethoxy]naphthalene
CAS Name: 2-[2-[(2,6-dimethoxy-1-cyclohexa-1,5-dienyl)oxy]ethoxy]naphthalene
IUPAC NAME: 2-[2-(2,6-dimethoxycyclohexa-1,5-dien-1-yl)oxyethoxy]naphthalene
SYSTEMATIC NAME: 2-[2-(2,6-dimethoxycyclohexa-1,5-dien-1-yl)oxyethoxy]naphthalene
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: COC1=C(C(=CCC1)OC)OCCOC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: (2-phenylphenyl) formate
CAS Name: formic acid (2-phenylphenyl) ester
IUPAC NAME: (2-phenylphenyl) formate
SYSTEMATIC NAME: (2-phenylphenyl) methanoate
MOLECULAR FORMULA: C13H10O2
MOLECULAR WEIGHT: 198.2173
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2OC=O
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Product OPENEYE NAME: 2-[2-(3,5-dichlorocyclohexa-1,5-dien-1-yl)oxyethoxy]naphthalene
CAS Name: 2-[2-[(3,5-dichloro-1-cyclohexa-1,5-dienyl)oxy]ethoxy]naphthalene
IUPAC NAME: 2-[2-(3,5-dichlorocyclohexa-1,5-dien-1-yl)oxyethoxy]naphthalene
SYSTEMATIC NAME: 2-[2-[3,5-bis(chloranyl)cyclohexa-1,5-dien-1-yl]oxyethoxy]naphthalene
MOLECULAR FORMULA: C18H16Cl2O2
MOLECULAR WEIGHT: 335.22444
SMILES: C1C(C=C(C=C1Cl)OCCOC2=CC3=CC=CC=C3C=C2)Cl
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Product OPENEYE NAME: 4-(2-naphthyl)butyl 2-oxo-2-(1-oxo-2-thienyl)acetate
CAS Name: 2-oxo-2-(1-oxo-2-thiophenyl)acetic acid 4-(2-naphthalenyl)butyl ester
IUPAC NAME: 4-naphthalen-2-ylbutyl 2-oxo-2-(1-oxothiophen-2-yl)acetate
SYSTEMATIC NAME: 4-naphthalen-2-ylbutyl 2-oxidanylidene-2-(1-oxidanylidenethiophen-2-yl)ethanoate
MOLECULAR FORMULA: C20H18O4S
MOLECULAR WEIGHT: 354.41952
SMILES: C1=CC=C2C=C(C=CC2=C1)CCCCOC(=O)C(=O)C3=CC=CS3=O
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Product OPENEYE NAME: 3-cyclohexylpropyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 3-cyclohexylpropyl ester
IUPAC NAME: 3-cyclohexylpropyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 3-cyclohexylpropyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C17H20O4
MOLECULAR WEIGHT: 288.3383
SMILES: C1CCC(CC1)CCCOC(=O)C(=O)C2=C3C(=CC=C2)O3
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Product OPENEYE NAME: 3-(2-naphthyloxy)propyl 2-oxo-2-(2-thienyl)acetate
CAS Name: 2-oxo-2-thiophen-2-ylacetic acid 3-(2-naphthalenyloxy)propyl ester
IUPAC NAME: 3-naphthalen-2-yloxypropyl 2-oxo-2-thiophen-2-ylacetate
SYSTEMATIC NAME: 3-naphthalen-2-yloxypropyl 2-oxidanylidene-2-thiophen-2-yl-ethanoate
MOLECULAR FORMULA: C19H16O4S
MOLECULAR WEIGHT: 340.39294
SMILES: C1=CC=C2C=C(C=CC2=C1)OCCCOC(=O)C(=O)C3=CC=CS3
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Product OPENEYE NAME: 2-(2-phenylphenoxy)ethyl 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid 2-(2-phenylphenoxy)ethyl ester
IUPAC NAME: 2-(2-phenylphenoxy)ethyl 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: 2-(2-phenylphenoxy)ethyl 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C22H18O5
MOLECULAR WEIGHT: 362.37532
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2OCCOOC(=O)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-[4-(dimethylsulfamoyl)phenoxy]ethyl ester
IUPAC NAME: 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C18H17NO7S
MOLECULAR WEIGHT: 391.39508
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCOC(=O)C(=O)C2=C3C(=CC=C2)O3
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Product OPENEYE NAME: 2-(2-naphthyloxy)ethylsulfinyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid 2-(2-naphthalenyloxy)ethylsulfinyl ester
IUPAC NAME: 2-naphthalen-2-yloxyethylsulfinyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: 2-naphthalen-2-yloxyethylsulfinyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C20H16O5S
MOLECULAR WEIGHT: 368.40304
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OS(=O)CCOC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: [3-(2-methylphenoxy)-2-[2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetyl]oxy-propyl] 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid [3-(2-methylphenoxy)-2-[2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-1,2-dioxoethoxy]propyl] ester
IUPAC NAME: [3-(2-methylphenoxy)-2-[2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetyl]oxypropyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [3-(2-methylphenoxy)-2-[2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoyl]oxy-propyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C23H24O7
MOLECULAR WEIGHT: 412.43246
SMILES: CC1=CC=CC=C1OCC(COC(=O)C(C)(C)C)OC(=O)C(=O)C2=C3C(=CC=C2)O3
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Product OPENEYE NAME: 1-[2-(4-bromo-3,5-dichloro-phenoxy)ethoxy]naphthalene
CAS Name: 1-[2-(4-bromo-3,5-dichlorophenoxy)ethoxy]naphthalene
IUPAC NAME: 1-[2-(4-bromo-3,5-dichlorophenoxy)ethoxy]naphthalene
SYSTEMATIC NAME: 1-[2-[4-bromanyl-3,5-bis(chloranyl)phenoxy]ethoxy]naphthalene
MOLECULAR FORMULA: C18H13BrCl2O2
MOLECULAR WEIGHT: 412.10462
SMILES: C1=CC=C2C(=C1)C=CC=C2OCCOC3=CC(=C(C(=C3)Cl)Br)Cl
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Product OPENEYE NAME: (2Z)-2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[2-(2-methylphenoxy)ethoxy]phenyl]-2-methoxyimino-acetic acid
CAS Name: (2Z)-2-[3-[(2,2-dimethyl-1-oxobutoxy)methyl]-2-[2-(2-methylphenoxy)ethoxy]phenyl]-2-methoxyiminoacetic acid
IUPAC NAME: (2Z)-2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[2-(2-methylphenoxy)ethoxy]phenyl]-2-methoxyiminoacetic acid
SYSTEMATIC NAME: (2Z)-2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[2-(2-methylphenoxy)ethoxy]phenyl]-2-methoxyimino-ethanoic acid
MOLECULAR FORMULA: C25H31NO7
MOLECULAR WEIGHT: 457.51614
SMILES: CCC(C)(C)C(=O)OCC1=CC=CC(=C1OCCOC2=CC=CC=C2C)/C(=N/OC)/C(=O)O
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Product OPENEYE NAME: 3-(2-naphthyloxy)propyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid 3-(2-naphthalenyloxy)propyl ester
IUPAC NAME: 3-naphthalen-2-yloxypropyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: 3-naphthalen-2-yloxypropyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C21H18O4
MOLECULAR WEIGHT: 334.36522
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OCCCOC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 3-(cycloheptoxy)propyl 2-oxo-2-(1-oxo-2-thienyl)acetate
CAS Name: 2-oxo-2-(1-oxo-2-thiophenyl)acetic acid 3-cycloheptyloxypropyl ester
IUPAC NAME: 3-cycloheptyloxypropyl 2-oxo-2-(1-oxothiophen-2-yl)acetate
SYSTEMATIC NAME: 3-cycloheptyloxypropyl 2-oxidanylidene-2-(1-oxidanylidenethiophen-2-yl)ethanoate
MOLECULAR FORMULA: C16H22O5S
MOLECULAR WEIGHT: 326.40788
SMILES: C1CCCC(CC1)OCCCOC(=O)C(=O)C2=CC=CS2=O
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Product OPENEYE NAME: 3-(2-naphthyloxy)propylsulfonyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid 3-(2-naphthalenyloxy)propylsulfonyl ester
IUPAC NAME: 3-naphthalen-2-yloxypropylsulfonyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: 3-naphthalen-2-yloxypropylsulfonyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C21H18O6S
MOLECULAR WEIGHT: 398.42902
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OS(=O)(=O)CCCOC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid butyl ester
IUPAC NAME: butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: CCCCOC(=O)C(=O)C1=C2C(=CC=C1)O2
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All Chemical Compounds Information



Product OPENEYE NAME: 2-[3,5-ditert-butyl-2-(4-hydroxy-5-oxo-5-phenyl-pentoxy)phenyl]-2-oxo-acetic acid
CAS Name: 2-[3,5-ditert-butyl-2-(4-hydroxy-5-oxo-5-phenylpentoxy)phenyl]-2-oxoacetic acid
IUPAC NAME: 2-[3,5-ditert-butyl-2-(4-hydroxy-5-oxo-5-phenylpentoxy)phenyl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[3,5-ditert-butyl-2-(4-oxidanyl-5-oxidanylidene-5-phenyl-pentoxy)phenyl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C27H34O6
MOLECULAR WEIGHT: 454.55526
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(=O)C(=O)O)OCCCC(C(=O)C2=CC=CC=C2)O)C(C)(C)C
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Product OPENEYE NAME: (2-cyclooctyl-2-oxo-ethyl) 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid (2-cyclooctyl-2-oxoethyl) ester
IUPAC NAME: (2-cyclooctyl-2-oxoethyl) 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: (2-cyclooctyl-2-oxidanylidene-ethyl) 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C18H22O5
MOLECULAR WEIGHT: 318.36428
SMILES: C1CCCC(CCC1)C(=O)COOC(=O)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: tert-butoxycarbonyl 2-[4-[2-(cyclohexoxy)ethyl]phenyl]-2-oxo-acetate
CAS Name: 2-[4-(2-cyclohexyloxyethyl)phenyl]-2-oxoacetic acid [(2-methylpropan-2-yl)oxy-oxomethyl] ester
IUPAC NAME: (2-methylpropan-2-yl)oxycarbonyl 2-[4-(2-cyclohexyloxyethyl)phenyl]-2-oxoacetate
SYSTEMATIC NAME: (2-methylpropan-2-yl)oxycarbonyl 2-[4-(2-cyclohexyloxyethyl)phenyl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: CC(C)(C)OC(=O)OC(=O)C(=O)C1=CC=C(C=C1)CCOC2CCCCC2
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Product OPENEYE NAME: [1-methyl-2-(2-methylphenoxy)ethyl] 2-oxo-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetate
CAS Name: 2-oxo-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetic acid 1-(2-methylphenoxy)propan-2-yl ester
IUPAC NAME: 1-(2-methylphenoxy)propan-2-yl 2-oxo-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetate
SYSTEMATIC NAME: 1-(2-methylphenoxy)propan-2-yl 2-oxidanylidene-2-(7-thiabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)ethanoate
MOLECULAR FORMULA: C18H16O4S
MOLECULAR WEIGHT: 328.38224
SMILES: CC1=CC=CC=C1OCC(C)OC(=O)C(=O)C2=C3C(=CC=C2)S3
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Product OPENEYE NAME: 2-(9H-carbazol-3-yloxy)ethyl 2-oxo-2-(1-oxo-2-thienyl)acetate
CAS Name: 2-oxo-2-(1-oxo-2-thiophenyl)acetic acid 2-(9H-carbazol-3-yloxy)ethyl ester
IUPAC NAME: 2-(9H-carbazol-3-yloxy)ethyl 2-oxo-2-(1-oxothiophen-2-yl)acetate
SYSTEMATIC NAME: 2-(9H-carbazol-3-yloxy)ethyl 2-oxidanylidene-2-(1-oxidanylidenethiophen-2-yl)ethanoate
MOLECULAR FORMULA: C20H15NO5S
MOLECULAR WEIGHT: 381.4018
SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)OCCOC(=O)C(=O)C4=CC=CS4=O
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Product OPENEYE NAME: [2-(cyclooctylamino)-2-oxo-ethyl] 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(cyclooctylamino)-2-oxoethyl] 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: C1CCCC(CCC1)NC(=O)COOC(=O)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-naphthylmethyl 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid 2-naphthalenylmethyl ester
IUPAC NAME: naphthalen-2-ylmethyl 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: naphthalen-2-ylmethyl 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C19H14O4
MOLECULAR WEIGHT: 306.31206
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OOCC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: ethylsulfinyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid ethylsulfinyl ester
IUPAC NAME: ethylsulfinyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: ethylsulfinyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C10H10O4S
MOLECULAR WEIGHT: 226.249
SMILES: CCS(=O)OC(=O)C(=O)C1=CC=CC=C1
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Product OPENEYE NAME: benzofuran-2-ylmethyl 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid 2-benzofuranylmethyl ester
IUPAC NAME: 1-benzofuran-2-ylmethyl 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: 1-benzofuran-2-ylmethyl 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C17H12O5
MOLECULAR WEIGHT: 296.27418
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OOCC2=CC3=CC=CC=C3O2
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Product OPENEYE NAME: 5-phenoxypentyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid 5-phenoxypentyl ester
IUPAC NAME: 5-phenoxypentyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: 5-phenoxypentyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C19H20O4
MOLECULAR WEIGHT: 312.3597
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OCCCCCOC2=CC=CC=C2
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Product OPENEYE NAME: 2-methoxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-methoxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C11H10O5
MOLECULAR WEIGHT: 222.1941
SMILES: COCCOC(=O)C(=O)C1=C2C(=CC=C1)O2
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Product OPENEYE NAME: 2-(cyclohexoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-cyclohexyloxyethyl ester
IUPAC NAME: 2-cyclohexyloxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-cyclohexyloxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C16H18O5
MOLECULAR WEIGHT: 290.31112
SMILES: C1CCC(CC1)OCCOC(=O)C(=O)C2=C3C(=CC=C2)O3
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