Product OPENEYE NAME: 1,12-dibromododecane
CAS Name: 1,12-dibromododecane
IUPAC NAME: 1,12-dibromododecane
SYSTEMATIC NAME: 1,12-bis(bromanyl)dodecane
MOLECULAR FORMULA: C12H24Br2
MOLECULAR WEIGHT: 328.12696
SMILES: C(CCCCCCBr)CCCCCBr
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Product OPENEYE NAME: diethyl-methyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propoxy]ethyl]ammonium iodide
CAS Name: diethyl-methyl-[2-[2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propoxy]ethyl]ammonium iodide
IUPAC NAME: diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide
SYSTEMATIC NAME: diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium iodide
MOLECULAR FORMULA: C25H38INO2
MOLECULAR WEIGHT: 511.47919
SMILES: CC[N+](C)(CC)CCOCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.[I-]
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Product OPENEYE NAME: diethyl-methyl-[2-[2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propoxy]ethyl]ammonium
CAS Name: diethyl-methyl-[2-[2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propoxy]ethyl]ammonium
IUPAC NAME: diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
SYSTEMATIC NAME: diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
MOLECULAR FORMULA: C25H38NO2+
MOLECULAR WEIGHT: 384.57472
SMILES: CC[N+](C)(CC)CCOCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: [(3R,8R,9S,10R,13S,14S,17S)-3-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ammonium dichloride
CAS Name: [(3R,8R,9S,10R,13S,14S,17S)-3-ammonio-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ammonium dichloride
IUPAC NAME: [(3R,8R,9S,10R,13S,14S,17S)-3-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]azanium dichloride
SYSTEMATIC NAME: [(3R,8R,9S,10R,13S,14S,17S)-3-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]azanium dichloride
MOLECULAR FORMULA: C19H34Cl2N2
MOLECULAR WEIGHT: 361.39266
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[NH3+])CC=C4[C@@]3(CC[C@H](C4)[NH3+])C.[Cl-].[Cl-]
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Product OPENEYE NAME: 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
CAS Name: 5,10-dioxobenzo[g][1,4]benzodithiin-2,3-dicarbonitrile
IUPAC NAME: 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5,10-bis(oxidanylidene)benzo[g][1,4]benzodithiine-2,3-dicarbonitrile
MOLECULAR FORMULA: C14H4N2O2S2
MOLECULAR WEIGHT: 296.32376
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N
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Product OPENEYE NAME: 2-(4-isobutylphenyl)ethanehydroxamic acid
CAS Name: N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide
IUPAC NAME: N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-(2-methylpropyl)phenyl]-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC(C)CC1=CC=C(C=C1)CC(=O)NO
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Product OPENEYE NAME: (3S)-17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
CAS Name: (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
IUPAC NAME: (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
SYSTEMATIC NAME: (3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
MOLECULAR FORMULA: C27H48O2
MOLECULAR WEIGHT: 404.66882
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4(C3(CC[C@@H](C4)O)C)O)C
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Product OPENEYE NAME: 5-methyl-3-phenyl-1H-pyrazole
CAS Name: 5-methyl-3-phenyl-1H-pyrazole
IUPAC NAME: 5-methyl-3-phenyl-1H-pyrazole
SYSTEMATIC NAME: 5-methyl-3-phenyl-1H-pyrazole
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CC1=CC(=NN1)C2=CC=CC=C2
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Product OPENEYE NAME: dimethoxyphosphinothioyl acetate
CAS Name: acetic acid dimethoxyphosphinothioyl ester
IUPAC NAME: dimethoxyphosphinothioyl acetate
SYSTEMATIC NAME: dimethoxyphosphinothioyl ethanoate
MOLECULAR FORMULA: C4H9O4PS
MOLECULAR WEIGHT: 184.150621
SMILES: CC(=O)OP(=S)(OC)OC
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Product OPENEYE NAME: disodium 8-anilino-5-[[4-(3-sulfonatophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonate
CAS Name: disodium 8-anilino-5-[[4-(3-sulfonatophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonate
IUPAC NAME: disodium 8-anilino-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: disodium 8-phenylazanyl-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C32H21N5Na2O6S2
MOLECULAR WEIGHT: 681.64858
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 8-anilino-5-[[4-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid
CAS Name: 8-anilino-5-[[4-(3-sulfophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid
IUPAC NAME: 8-anilino-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 8-phenylazanyl-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C32H23N5O6S2
MOLECULAR WEIGHT: 637.68492
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O
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Product OPENEYE NAME: 5-bromo-1-[(2R,4S,5R)-5-ethyl-4-hydroxy-tetrahydrofuran-2-yl]-5-fluoro-6-methoxy-hexahydropyrimidine-2,4-dione
CAS Name: 5-bromo-1-[(2R,4S,5R)-5-ethyl-4-hydroxy-2-oxolanyl]-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
IUPAC NAME: 5-bromo-1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-fluoro-6-methoxy-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-1-[(2R,4S,5R)-5-ethyl-4-oxidanyl-oxolan-2-yl]-5-fluoranyl-6-methoxy-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C11H16BrFN2O5
MOLECULAR WEIGHT: 355.157543
SMILES: CC[C@@H]1[C@H](C[C@@H](O1)N2C(C(C(=O)NC2=O)(F)Br)OC)O
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Product OPENEYE NAME: 1-methylchrysene
CAS Name: 1-methylchrysene
IUPAC NAME: 1-methylchrysene
SYSTEMATIC NAME: 1-methylchrysene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC=CC2=C1C=CC3=C2C=CC4=CC=CC=C43
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Product OPENEYE NAME: 4-methylchrysene
CAS Name: 4-methylchrysene
IUPAC NAME: 4-methylchrysene
SYSTEMATIC NAME: 4-methylchrysene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC=CC2=C1C3=C(C=C2)C4=CC=CC=C4C=C3
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Product OPENEYE NAME: 3-methylchrysene
CAS Name: 3-methylchrysene
IUPAC NAME: 3-methylchrysene
SYSTEMATIC NAME: 3-methylchrysene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC2=C(C=C1)C=CC3=C2C=CC4=CC=CC=C43
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Product OPENEYE NAME: 2-methylchrysene
CAS Name: 2-methylchrysene
IUPAC NAME: 2-methylchrysene
SYSTEMATIC NAME: 2-methylchrysene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4C=C3
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Product OPENEYE NAME: N,N-diethyldodecanamide
CAS Name: N,N-diethyldodecanamide
IUPAC NAME: N,N-diethyldodecanamide
SYSTEMATIC NAME: N,N-diethyldodecanamide
MOLECULAR FORMULA: C16H33NO
MOLECULAR WEIGHT: 255.43932
SMILES: CCCCCCCCCCCC(=O)N(CC)CC
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Product OPENEYE NAME: 4-methylpyrene
CAS Name: 4-methylpyrene
IUPAC NAME: 4-methylpyrene
SYSTEMATIC NAME: 4-methylpyrene
MOLECULAR FORMULA: C17H12
MOLECULAR WEIGHT: 216.27718
SMILES: CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3
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Product OPENEYE NAME: N,N-diethyl-1-methyl-piperidine-3-carboxamide
CAS Name: N,N-diethyl-1-methyl-3-piperidinecarboxamide
IUPAC NAME: N,N-diethyl-1-methylpiperidine-3-carboxamide
SYSTEMATIC NAME: N,N-diethyl-1-methyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C11H22N2O
MOLECULAR WEIGHT: 198.30518
SMILES: CCN(CC)C(=O)C1CCCN(C1)C
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Product OPENEYE NAME: 5-phenyl-1H-1,2,4-triazole
CAS Name: 5-phenyl-1H-1,2,4-triazole
IUPAC NAME: 5-phenyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-phenyl-1H-1,2,4-triazole
MOLECULAR FORMULA: C8H7N3
MOLECULAR WEIGHT: 145.16128
SMILES: C1=CC=C(C=C1)C2=NC=NN2
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Product OPENEYE NAME: N-[4-(4-aminophenyl)phenyl]acetamide
CAS Name: N-[4-(4-aminophenyl)phenyl]acetamide
IUPAC NAME: N-[4-(4-aminophenyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-aminophenyl)phenyl]ethanamide
MOLECULAR FORMULA: C14H14N2O
MOLECULAR WEIGHT: 226.27376
SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N
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Product OPENEYE NAME: chloro-[2-methoxy-3-(3-methyl-2,5-dioxo-imidazolidin-1-yl)propyl]mercury
CAS Name: chloro-[2-methoxy-3-(3-methyl-2,5-dioxo-1-imidazolidinyl)propyl]mercury
IUPAC NAME: chloro-[2-methoxy-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]mercury
SYSTEMATIC NAME: chloranyl-[2-methoxy-3-[3-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]propyl]mercury
MOLECULAR FORMULA: C8H13ClHgN2O3
MOLECULAR WEIGHT: 421.24342
SMILES: CN1CC(=O)N(C1=O)CC(C[Hg]Cl)OC
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Product OPENEYE NAME: chloro-[3-(2,5-dioxoimidazolidin-1-yl)-2-methoxy-propyl]mercury
CAS Name: chloro-[3-(2,5-dioxo-1-imidazolidinyl)-2-methoxypropyl]mercury
IUPAC NAME: chloro-[3-(2,5-dioxoimidazolidin-1-yl)-2-methoxypropyl]mercury
SYSTEMATIC NAME: [3-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-methoxy-propyl]-chloranyl-mercury
MOLECULAR FORMULA: C7H11ClHgN2O3
MOLECULAR WEIGHT: 407.21684
SMILES: COC(CN1C(=O)CNC1=O)C[Hg]Cl
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Product OPENEYE NAME: chloro-[2-methoxy-3-(1-methyl-2,5-dioxo-imidazolidin-4-yl)propyl]mercury
CAS Name: chloro-[2-methoxy-3-(1-methyl-2,5-dioxo-4-imidazolidinyl)propyl]mercury
IUPAC NAME: chloro-[2-methoxy-3-(1-methyl-2,5-dioxoimidazolidin-4-yl)propyl]mercury
SYSTEMATIC NAME: chloranyl-[2-methoxy-3-[1-methyl-2,5-bis(oxidanylidene)imidazolidin-4-yl]propyl]mercury
MOLECULAR FORMULA: C8H13ClHgN2O3
MOLECULAR WEIGHT: 421.24342
SMILES: CN1C(=O)C(NC1=O)CC(C[Hg]Cl)OC
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