Product OPENEYE NAME: 1-pyrrolidin-1-ylpentan-1-one
CAS Name: 1-(1-pyrrolidinyl)-1-pentanone
IUPAC NAME: 1-pyrrolidin-1-ylpentan-1-one
SYSTEMATIC NAME: 1-pyrrolidin-1-ylpentan-1-one
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CCCCC(=O)N1CCCC1
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Product OPENEYE NAME: diethylammonium; 2-hydroxybenzoate
CAS Name: diethylammonium; 2-hydroxybenzoate
IUPAC NAME: diethylazanium; 2-hydroxybenzoate
SYSTEMATIC NAME: diethylazanium; 2-oxidanylbenzoate
MOLECULAR FORMULA: C11H17NO3
MOLECULAR WEIGHT: 211.25758
SMILES: CC[NH2+]CC.C1=CC=C(C(=C1)C(=O)[O-])O
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Product OPENEYE NAME: 3-oxaspiro[4.5]decan-4-one
CAS Name: 3-oxaspiro[4.5]decan-4-one
IUPAC NAME: 3-oxaspiro[4.5]decan-4-one
SYSTEMATIC NAME: 3-oxaspiro[4.5]decan-4-one
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CCC2(CC1)CCOC2=O
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Product OPENEYE NAME: 3-trimethoxysilylpropane-1-thiol
CAS Name: 3-trimethoxysilyl-1-propanethiol
IUPAC NAME: 3-trimethoxysilylpropane-1-thiol
SYSTEMATIC NAME: 3-trimethoxysilylpropane-1-thiol
MOLECULAR FORMULA: C6H16O3SSi
MOLECULAR WEIGHT: 196.33994
SMILES: CO[Si](CCCS)(OC)OC
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Product OPENEYE NAME: 2-ethylcyclohexanone
CAS Name: 2-ethyl-1-cyclohexanone
IUPAC NAME: 2-ethylcyclohexan-1-one
SYSTEMATIC NAME: 2-ethylcyclohexan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCC1CCCCC1=O
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Product OPENEYE NAME: (1S,5aR)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]chromen-7-one
CAS Name: (1S,5aR)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f][1]benzopyran-7-one
IUPAC NAME: (1S,5aR)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]chromen-7-one
SYSTEMATIC NAME: (1S,5aR)-1,9a,11a-trimethyl-1-oxidanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]chromen-7-one
MOLECULAR FORMULA: C19H30O3
MOLECULAR WEIGHT: 306.4397
SMILES: C[C@@]1(CCC2C1(CCC3C2CC[C@@H]4C3(CCC(=O)O4)C)C)O
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Product OPENEYE NAME: 9H-fluoren-9-yl 3-(diethylamino)propanoate
CAS Name: 3-(diethylamino)propanoic acid 9H-fluoren-9-yl ester
IUPAC NAME: 9H-fluoren-9-yl 3-(diethylamino)propanoate
SYSTEMATIC NAME: 9H-fluoren-9-yl 3-(diethylamino)propanoate
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: CCN(CC)CCC(=O)OC1C2=CC=CC=C2C3=CC=CC=C13
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Product OPENEYE NAME: 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid
CAS Name: 3-[9-(2-carboxyethyl)-9-fluorenyl]propanoic acid
IUPAC NAME: 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid
SYSTEMATIC NAME: 3-[9-(3-hydroxy-3-oxopropyl)fluoren-9-yl]propanoic acid
MOLECULAR FORMULA: C19H18O4
MOLECULAR WEIGHT: 310.34382
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC(=O)O)CCC(=O)O
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Product OPENEYE NAME: 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
CAS Name: 3-[9-(2-cyanoethyl)-9-fluorenyl]propanenitrile
IUPAC NAME: 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
SYSTEMATIC NAME: 3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
MOLECULAR FORMULA: C19H16N2
MOLECULAR WEIGHT: 272.34374
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)CCC#N
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Product OPENEYE NAME: butylboronic acid
CAS Name: butylboronic acid
IUPAC NAME: butylboronic acid
SYSTEMATIC NAME: butylboronic acid
MOLECULAR FORMULA: C4H11BO2
MOLECULAR WEIGHT: 101.93994
SMILES: B(CCCC)(O)O
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Product OPENEYE NAME: 4-methyl-1,3,2-dioxathiane 2,2-dioxide
CAS Name: 4-methyl-1,3,2-dioxathiane 2,2-dioxide
IUPAC NAME: 4-methyl-1,3,2-dioxathiane 2,2-dioxide
SYSTEMATIC NAME: 4-methyl-1,3,2-dioxathiane 2,2-dioxide
MOLECULAR FORMULA: C4H8O4S
MOLECULAR WEIGHT: 152.16892
SMILES: CC1CCOS(=O)(=O)O1
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Product OPENEYE NAME: 4-methyl-1,3,2-dioxathiane 2-oxide
CAS Name: 4-methyl-1,3,2-dioxathiane 2-oxide
IUPAC NAME: 4-methyl-1,3,2-dioxathiane 2-oxide
SYSTEMATIC NAME: 4-methyl-1,3,2-dioxathiane 2-oxide
MOLECULAR FORMULA: C4H8O3S
MOLECULAR WEIGHT: 136.16952
SMILES: CC1CCOS(=O)O1
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Product OPENEYE NAME: 1,2,2-triphenylethanol
CAS Name: 1,2,2-triphenylethanol
IUPAC NAME: 1,2,2-triphenylethanol
SYSTEMATIC NAME: 1,2,2-triphenylethanol
MOLECULAR FORMULA: C20H18O
MOLECULAR WEIGHT: 274.35632
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)O
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Product OPENEYE NAME: 2-(2-hydroxyethyltrisulfanyl)ethanol
CAS Name: 2-(2-hydroxyethyltrisulfanyl)ethanol
IUPAC NAME: 2-(2-hydroxyethyltrisulfanyl)ethanol
SYSTEMATIC NAME: 2-(2-hydroxyethyltrisulfanyl)ethanol
MOLECULAR FORMULA: C4H10O2S3
MOLECULAR WEIGHT: 186.316
SMILES: C(CSSSCCO)O
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Product OPENEYE NAME: (2R,3S,4R,5R)-2-(aminomethyl)tetrahydropyran-2,3,4,5-tetrol
CAS Name: (2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
IUPAC NAME: (2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H13NO5
MOLECULAR WEIGHT: 179.17112
SMILES: C1[C@H]([C@H]([C@@H]([C@](O1)(CN)O)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC
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Product OPENEYE NAME: 2-chloro-4-[3-(3-chloro-4-hydroxy-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol
CAS Name: 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol
IUPAC NAME: 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol
SYSTEMATIC NAME: 2-chloranyl-4-[3-(3-chloranyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]phenol
MOLECULAR FORMULA: C19H12Cl2O5S
MOLECULAR WEIGHT: 423.26658
SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)O)Cl
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Product OPENEYE NAME: 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-1-benzopyran-2-one
IUPAC NAME: 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
SYSTEMATIC NAME: 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CCC2C(C1)CCC(=O)O2
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Product OPENEYE NAME: 2-diphenylarsanylethyl(diphenyl)arsane
CAS Name: 2-diphenylarsinoethyl(diphenyl)arsine
IUPAC NAME: 2-diphenylarsanylethyl(diphenyl)arsane
SYSTEMATIC NAME: 2-diphenylarsanylethyl(diphenyl)arsane
MOLECULAR FORMULA: C26H24As2
MOLECULAR WEIGHT: 486.31196
SMILES: C1=CC=C(C=C1)[As](CC[As](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5,8-dihydroxy-7-methoxy-2-phenyl-chromen-4-one
CAS Name: 5,8-dihydroxy-7-methoxy-2-phenyl-1-benzopyran-4-one
IUPAC NAME: 5,8-dihydroxy-7-methoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 7-methoxy-5,8-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C16H12O5
MOLECULAR WEIGHT: 284.26348
SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)O
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Product OPENEYE NAME: cyclopentylmethylcyclohexane
CAS Name: cyclopentylmethylcyclohexane
IUPAC NAME: cyclopentylmethylcyclohexane
SYSTEMATIC NAME: cyclopentylmethylcyclohexane
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: C1CCC(CC1)CC2CCCC2
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Product OPENEYE NAME: 2-morpholino-1-phenyl-ethanol
CAS Name: 2-(4-morpholinyl)-1-phenylethanol
IUPAC NAME: 2-morpholin-4-yl-1-phenylethanol
SYSTEMATIC NAME: 2-morpholin-4-yl-1-phenyl-ethanol
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1COCCN1CC(C2=CC=CC=C2)O
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Product OPENEYE NAME: 1,2-dimethyl-4-phenyl-benzene
CAS Name: 1,2-dimethyl-4-phenylbenzene
IUPAC NAME: 1,2-dimethyl-4-phenylbenzene
SYSTEMATIC NAME: 1,2-dimethyl-4-phenyl-benzene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2)C
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