Product OPENEYE NAME: 4-aminobutanamide
CAS Name: 4-aminobutanamide
IUPAC NAME: 4-aminobutanamide
SYSTEMATIC NAME: 4-azanylbutanamide
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: C(CC(=O)N)CN
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Product OPENEYE NAME: copper dinitrate
CAS Name: copper dinitrate
IUPAC NAME: copper dinitrate
SYSTEMATIC NAME: copper dinitrate
MOLECULAR FORMULA: CuN2O6
MOLECULAR WEIGHT: 187.5558
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]
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Product OPENEYE NAME: 2,2-dibromoacetonitrile
CAS Name: 2,2-dibromoacetonitrile
IUPAC NAME: 2,2-dibromoacetonitrile
SYSTEMATIC NAME: 2,2-bis(bromanyl)ethanenitrile
MOLECULAR FORMULA: C2HBr2N
MOLECULAR WEIGHT: 198.84404
SMILES: C(#N)C(Br)Br
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Product OPENEYE NAME: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; methyl sulfate
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; methyl sulfate
IUPAC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; methyl sulfate
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium; methyl sulfate
MOLECULAR FORMULA: C54H80N2O16S2
MOLECULAR WEIGHT: 1077.3468
SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCCCCCCCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
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Product OPENEYE NAME: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
IUPAC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
MOLECULAR FORMULA: C52H74N2O8+2
MOLECULAR WEIGHT: 855.15256
SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCCCCCCCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
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Product OPENEYE NAME: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[[(2S,5S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,10R,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O10
MOLECULAR WEIGHT: 552.65366
SMILES: CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)O
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Product OPENEYE NAME: dimethyl (4-methylsulfanylphenyl) phosphate
CAS Name: phosphoric acid dimethyl [4-(methylthio)phenyl] ester
IUPAC NAME: dimethyl (4-methylsulfanylphenyl) phosphate
SYSTEMATIC NAME: dimethyl (4-methylsulfanylphenyl) phosphate
MOLECULAR FORMULA: C9H13O4PS
MOLECULAR WEIGHT: 248.235881
SMILES: COP(=O)(OC)OC1=CC=C(C=C1)SC
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Product OPENEYE NAME: 5,5-diphenylimidazolidin-4-one
CAS Name: 5,5-diphenyl-4-imidazolidinone
IUPAC NAME: 5,5-diphenylimidazolidin-4-one
SYSTEMATIC NAME: 5,5-diphenylimidazolidin-4-one
MOLECULAR FORMULA: C15H14N2O
MOLECULAR WEIGHT: 238.28446
SMILES: C1NC(=O)C(N1)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6-bis(hydroxyamino)-4,5-dihydropyrimidin-2-one
CAS Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6-bis(hydroxyamino)-4,5-dihydropyrimidin-2-one
IUPAC NAME: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-bis(hydroxyamino)-4,5-dihydropyrimidin-2-one
SYSTEMATIC NAME: 3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,6-bis(oxidanylamino)-4,5-dihydropyrimidin-2-one
MOLECULAR FORMULA: C9H16N4O7
MOLECULAR WEIGHT: 292.24594
SMILES: C1C(N(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)NO
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Product OPENEYE NAME: 5-allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(2-hydroxy-3-iodopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(2-hydroxy-3-iodopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(3-iodanyl-2-oxidanyl-propyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C10H13IN2O4
MOLECULAR WEIGHT: 352.12569
SMILES: C=CCC1(C(=O)NC(=O)NC1=O)CC(CI)O
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Product OPENEYE NAME: 3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CAS Name: 3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
IUPAC NAME: 3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
SYSTEMATIC NAME: 3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
MOLECULAR FORMULA: C29H50
MOLECULAR WEIGHT: 398.7073
SMILES: CCC1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C
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Product OPENEYE NAME: 6-ethoxy-2-(6-ethoxy-3-oxo-benzothiophen-2-ylidene)benzothiophen-3-one
CAS Name: 6-ethoxy-2-(6-ethoxy-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
IUPAC NAME: 6-ethoxy-2-(6-ethoxy-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
SYSTEMATIC NAME: 6-ethoxy-2-(6-ethoxy-3-oxidanylidene-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
MOLECULAR FORMULA: C20H16O4S2
MOLECULAR WEIGHT: 384.46864
SMILES: CCOC1=CC2=C(C=C1)C(=O)C(=C3C(=O)C4=C(S3)C=C(C=C4)OCC)S2
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Product OPENEYE NAME: (2-amino-2-oxo-1-phenyl-ethyl)ammonium bromide
CAS Name: (2-amino-2-oxo-1-phenylethyl)ammonium bromide
IUPAC NAME: (2-amino-2-oxo-1-phenylethyl)azanium bromide
SYSTEMATIC NAME: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl)azanium bromide
MOLECULAR FORMULA: C8H11BrN2O
MOLECULAR WEIGHT: 231.08974
SMILES: C1=CC=C(C=C1)C(C(=O)N)[NH3+].[Br-]
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Product OPENEYE NAME: 4-hydroxypent-3-en-2-one
CAS Name: 4-hydroxy-3-penten-2-one
IUPAC NAME: 4-hydroxypent-3-en-2-one
SYSTEMATIC NAME: 4-oxidanylpent-3-en-2-one
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC(=CC(=O)C)O
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Product OPENEYE NAME: 2,3-dimethyloxirane
CAS Name: 2,3-dimethyloxirane
IUPAC NAME: 2,3-dimethyloxirane
SYSTEMATIC NAME: 2,3-dimethyloxirane
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: CC1C(O1)C
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Product OPENEYE NAME: cobaltous butanedioate
CAS Name: butanedioate; cobalt(2+)
IUPAC NAME: butanedioate; cobalt(2+)
SYSTEMATIC NAME: butanedioate; cobalt(2+)
MOLECULAR FORMULA: C4H4CoO4
MOLECULAR WEIGHT: 175.00536
SMILES: C(CC(=O)[O-])C(=O)[O-].[Co+2]
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Product OPENEYE NAME: 3-methylsulfanylpropanal
CAS Name: 3-(methylthio)propanal
IUPAC NAME: 3-methylsulfanylpropanal
SYSTEMATIC NAME: 3-methylsulfanylpropanal
MOLECULAR FORMULA: C4H8OS
MOLECULAR WEIGHT: 104.17072
SMILES: CSCCC=O
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Product OPENEYE NAME: 1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin
CAS Name: 1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin
IUPAC NAME: 1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin
SYSTEMATIC NAME: 1,2,3,4,6,7,8,9-octakis(chloranyl)dibenzo-p-dioxin
MOLECULAR FORMULA: C12Cl8O2
MOLECULAR WEIGHT: 459.7512
SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
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Product OPENEYE NAME: N'-[(5-nitro-2-furyl)methyleneamino]oxamide
CAS Name: N'-[(5-nitro-2-furanyl)methylideneamino]oxamide
IUPAC NAME: N'-[(5-nitrofuran-2-yl)methylideneamino]oxamide
SYSTEMATIC NAME: N'-[(5-nitrofuran-2-yl)methylideneamino]ethanediamide
MOLECULAR FORMULA: C7H6N4O5
MOLECULAR WEIGHT: 226.14634
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C(=O)N
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Product OPENEYE NAME: 6-hydroxy-2-oxo-hexa-3,5-dienoic acid
CAS Name: 6-hydroxy-2-oxohexa-3,5-dienoic acid
IUPAC NAME: 6-hydroxy-2-oxohexa-3,5-dienoic acid
SYSTEMATIC NAME: 6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid
MOLECULAR FORMULA: C6H6O4
MOLECULAR WEIGHT: 142.10944
SMILES: C(=CC(=O)C(=O)O)C=CO
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