Product OPENEYE NAME: 2,6-dichloro-4-hydroxy-benzonitrile
CAS Name: 2,6-dichloro-4-hydroxybenzonitrile
IUPAC NAME: 2,6-dichloro-4-hydroxybenzonitrile
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3Cl2NO
MOLECULAR WEIGHT: 188.01082
SMILES: C1=C(C=C(C(=C1Cl)C#N)Cl)O
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Product OPENEYE NAME: 2,6-dichloro-3-hydroxy-benzonitrile
CAS Name: 2,6-dichloro-3-hydroxybenzonitrile
IUPAC NAME: 2,6-dichloro-3-hydroxybenzonitrile
SYSTEMATIC NAME: 2,6-bis(chloranyl)-3-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3Cl2NO
MOLECULAR WEIGHT: 188.01082
SMILES: C1=CC(=C(C(=C1O)Cl)C#N)Cl
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Product OPENEYE NAME: 3,5-dichloro-4-hydroxy-benzoic acid
CAS Name: 3,5-dichloro-4-hydroxybenzoic acid
IUPAC NAME: 3,5-dichloro-4-hydroxybenzoic acid
SYSTEMATIC NAME: 3,5-bis(chloranyl)-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4Cl2O3
MOLECULAR WEIGHT: 207.01086
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O
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Product OPENEYE NAME: isoquinolin-4-ol
CAS Name: 4-isoquinolinol
IUPAC NAME: isoquinolin-4-ol
SYSTEMATIC NAME: isoquinolin-4-ol
MOLECULAR FORMULA: C9H7NO
MOLECULAR WEIGHT: 145.15798
SMILES: C1=CC=C2C(=C1)C=NC=C2O
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Product OPENEYE NAME: methyl N-(4-nitrophenyl)sulfonylcarbamate
CAS Name: N-(4-nitrophenyl)sulfonylcarbamic acid methyl ester
IUPAC NAME: methyl N-(4-nitrophenyl)sulfonylcarbamate
SYSTEMATIC NAME: methyl N-(4-nitrophenyl)sulfonylcarbamate
MOLECULAR FORMULA: C8H8N2O6S
MOLECULAR WEIGHT: 260.22392
SMILES: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: methyl N-(4-aminophenyl)sulfonylcarbamate
CAS Name: N-(4-aminophenyl)sulfonylcarbamic acid methyl ester
IUPAC NAME: methyl N-(4-aminophenyl)sulfonylcarbamate
SYSTEMATIC NAME: methyl N-(4-aminophenyl)sulfonylcarbamate
MOLECULAR FORMULA: C8H10N2O4S
MOLECULAR WEIGHT: 230.241
SMILES: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
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Product OPENEYE NAME: N',N'-dimethyl-N-quinazolin-4-yl-ethane-1,2-diamine
CAS Name: N',N'-dimethyl-N-(4-quinazolinyl)ethane-1,2-diamine
IUPAC NAME: N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine
SYSTEMATIC NAME: N',N'-dimethyl-N-quinazolin-4-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C12H16N4
MOLECULAR WEIGHT: 216.28224
SMILES: CN(C)CCNC1=NC=NC2=CC=CC=C21
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Product OPENEYE NAME: cyanomethyl 2-(benzyloxycarbonylamino)-3-phenyl-propanoate
CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid cyanomethyl ester
IUPAC NAME: cyanomethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: cyanomethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: C1=CC=C(C=C1)CC(C(=O)OCC#N)NC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: 3,7-dimethylocta-1,3,6-triene
CAS Name: 3,7-dimethylocta-1,3,6-triene
IUPAC NAME: 3,7-dimethylocta-1,3,6-triene
SYSTEMATIC NAME: 3,7-dimethylocta-1,3,6-triene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC(=CCC=C(C)C=C)C
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Product OPENEYE NAME: N-phenylacridin-9-amine
CAS Name: N-phenyl-9-acridinamine
IUPAC NAME: N-phenylacridin-9-amine
SYSTEMATIC NAME: N-phenylacridin-9-amine
MOLECULAR FORMULA: C19H14N2
MOLECULAR WEIGHT: 270.32786
SMILES: C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
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Product OPENEYE NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-ol
CAS Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-ol
IUPAC NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-ol
SYSTEMATIC NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-ol
MOLECULAR FORMULA: C21H16O
MOLECULAR WEIGHT: 284.35114
SMILES: CC1=C2CC(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O
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Product OPENEYE NAME: 3-methyl-2H-benzo[j]aceanthrylen-1-one
CAS Name: 3-methyl-2H-benzo[j]aceanthrylen-1-one
IUPAC NAME: 3-methyl-2H-benzo[j]aceanthrylen-1-one
SYSTEMATIC NAME: 3-methyl-2H-benzo[j]aceanthrylen-1-one
MOLECULAR FORMULA: C21H14O
MOLECULAR WEIGHT: 282.33526
SMILES: CC1=C2CC(=O)C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1
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Product OPENEYE NAME: 3-methylbenzo[j]aceanthrylene
CAS Name: 3-methylbenzo[j]aceanthrylene
IUPAC NAME: 3-methylbenzo[j]aceanthrylene
SYSTEMATIC NAME: 3-methylbenzo[j]aceanthrylene
MOLECULAR FORMULA: C21H14
MOLECULAR WEIGHT: 266.33586
SMILES: CC1=C2C=CC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1
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Product OPENEYE NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-11-ol
CAS Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-11-ol
IUPAC NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-11-ol
SYSTEMATIC NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-11-ol
MOLECULAR FORMULA: C21H16O
MOLECULAR WEIGHT: 284.35114
SMILES: CC1=C2CCC3=C2C(=CC4=C3C=C(C5=CC=CC=C54)O)C=C1
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Product OPENEYE NAME: 4-[methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-nitro-benzene
CAS Name: 4-[methoxy-(methylthio)phosphoryl]oxy-2-methyl-1-nitrobenzene
IUPAC NAME: 4-[methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-nitrobenzene
SYSTEMATIC NAME: 4-[methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-nitro-benzene
MOLECULAR FORMULA: C9H12NO5PS
MOLECULAR WEIGHT: 277.234041
SMILES: CC1=C(C=CC(=C1)OP(=O)(OC)SC)[N+](=O)[O-]
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Product OPENEYE NAME: N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: N,N'-bis[[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine; 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: N,N'-bis[[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: N,N'-bis[[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine; 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C58H82N4O4S
MOLECULAR WEIGHT: 931.36108
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)CNCCNC[C@@]4(CCC[C@]5(C4CCC6=C5C=CC(=C6)C(C)C)C)C)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
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Product OPENEYE NAME: N,N'-bis[[(1R,4aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine
CAS Name: N,N'-bis[[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine
IUPAC NAME: N,N'-bis[[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine
SYSTEMATIC NAME: N,N'-bis[[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]ethane-1,2-diamine
MOLECULAR FORMULA: C42H64N2
MOLECULAR WEIGHT: 596.97096
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)CNCCNC[C@@]4(CCC[C@]5(C4CCC6=C5C=CC(=C6)C(C)C)C)C)C
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