Product OPENEYE NAME: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
CAS Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
IUPAC NAME: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
MOLECULAR FORMULA: C14H8N2S4
MOLECULAR WEIGHT: 332.48672
SMILES: C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 2,4-dichlorophenol
CAS Name: 2,4-dichlorophenol
IUPAC NAME: 2,4-dichlorophenol
SYSTEMATIC NAME: 2,4-bis(chloranyl)phenol
MOLECULAR FORMULA: C6H4Cl2O
MOLECULAR WEIGHT: 163.00136
SMILES: C1=CC(=C(C=C1Cl)Cl)O
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Product OPENEYE NAME: cyclopentanone
CAS Name: cyclopentanone
IUPAC NAME: cyclopentanone
SYSTEMATIC NAME: cyclopentanone
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: C1CCC(=O)C1
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Product OPENEYE NAME: imidazolidin-2-one
CAS Name: 2-imidazolidinone
IUPAC NAME: imidazolidin-2-one
SYSTEMATIC NAME: imidazolidin-2-one
MOLECULAR FORMULA: C3H6N2O
MOLECULAR WEIGHT: 86.09254
SMILES: C1CNC(=O)N1
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Product OPENEYE NAME: 1-methylpyrrolidine
CAS Name: 1-methylpyrrolidine
IUPAC NAME: 1-methylpyrrolidine
SYSTEMATIC NAME: 1-methylpyrrolidine
MOLECULAR FORMULA: C5H11N
MOLECULAR WEIGHT: 85.14754
SMILES: CN1CCCC1
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Product OPENEYE NAME: 2,4-bis(1,1-dimethylpropyl)phenol
CAS Name: 2,4-bis(2-methylbutan-2-yl)phenol
IUPAC NAME: 2,4-bis(2-methylbutan-2-yl)phenol
SYSTEMATIC NAME: 2,4-bis(2-methylbutan-2-yl)phenol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC
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Product OPENEYE NAME: 2-tert-butyl-4-methoxy-phenol
CAS Name: 2-tert-butyl-4-methoxyphenol
IUPAC NAME: 2-tert-butyl-4-methoxyphenol
SYSTEMATIC NAME: 2-tert-butyl-4-methoxy-phenol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)(C)C1=C(C=CC(=C1)OC)O
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Product OPENEYE NAME: 2-methyl-5-nitro-benzenesulfonyl chloride
CAS Name: 2-methyl-5-nitrobenzenesulfonyl chloride
IUPAC NAME: 2-methyl-5-nitrobenzenesulfonyl chloride
SYSTEMATIC NAME: 2-methyl-5-nitro-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H6ClNO4S
MOLECULAR WEIGHT: 235.64484
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl
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Product OPENEYE NAME: 2-methyl-5-nitro-benzenesulfonic acid
CAS Name: 2-methyl-5-nitrobenzenesulfonic acid
IUPAC NAME: 2-methyl-5-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 2-methyl-5-nitro-benzenesulfonic acid
MOLECULAR FORMULA: C7H7NO5S
MOLECULAR WEIGHT: 217.19918
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O
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Product OPENEYE NAME: N',N'-diisopropylethane-1,2-diamine
CAS Name: N',N'-di(propan-2-yl)ethane-1,2-diamine
IUPAC NAME: N',N'-di(propan-2-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N',N'-di(propan-2-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C8H20N2
MOLECULAR WEIGHT: 144.2578
SMILES: CC(C)N(CCN)C(C)C
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Product OPENEYE NAME: tris(2,6-dimethylphenyl) phosphate
CAS Name: phosphoric acid tris(2,6-dimethylphenyl) ester
IUPAC NAME: tris(2,6-dimethylphenyl) phosphate
SYSTEMATIC NAME: tris(2,6-dimethylphenyl) phosphate
MOLECULAR FORMULA: C24H27O4P
MOLECULAR WEIGHT: 410.442541
SMILES: CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)OC3=C(C=CC=C3C)C
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Product OPENEYE NAME: 1-methyl-2,4-dinitro-benzene
CAS Name: 1-methyl-2,4-dinitrobenzene
IUPAC NAME: 1-methyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-methyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1-chloro-2-nitro-4-(trifluoromethyl)benzene
CAS Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene
IUPAC NAME: 1-chloro-2-nitro-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2-nitro-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3ClF3NO2
MOLECULAR WEIGHT: 225.55243
SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [(1S)-2-methyl-4-oxo-3-penta-2,4-dienyl-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-penta-2,4-dienyl-1-cyclopent-2-enyl] ester
IUPAC NAME: [(1S)-2-methyl-4-oxo-3-penta-2,4-dienylcyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-2-methyl-4-oxidanylidene-3-penta-2,4-dienyl-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=CC=C
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Product OPENEYE NAME: 1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanone
CAS Name: 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone
IUPAC NAME: 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone
SYSTEMATIC NAME: 1-[3,4-bis(oxidanyl)phenyl]-2-(propan-2-ylamino)ethanone
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC(C)NCC(=O)C1=CC(=C(C=C1)O)O
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Product OPENEYE NAME: 3-ethoxy-4-hydroxy-benzaldehyde
CAS Name: 3-ethoxy-4-hydroxybenzaldehyde
IUPAC NAME: 3-ethoxy-4-hydroxybenzaldehyde
SYSTEMATIC NAME: 3-ethoxy-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC1=C(C=CC(=C1)C=O)O
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Product OPENEYE NAME: 4-hydroxy-3-methoxy-benzoic acid
CAS Name: 4-hydroxy-3-methoxybenzoic acid
IUPAC NAME: 4-hydroxy-3-methoxybenzoic acid
SYSTEMATIC NAME: 3-methoxy-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: COC1=C(C=CC(=C1)C(=O)O)O
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Product OPENEYE NAME: ethyl 3-phenyloxirane-2-carboxylate
CAS Name: 3-phenyl-2-oxiranecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-phenyloxirane-2-carboxylate
SYSTEMATIC NAME: ethyl 3-phenyloxirane-2-carboxylate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CCOC(=O)C1C(O1)C2=CC=CC=C2
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Product OPENEYE NAME: trimethyl borate
CAS Name: trimethyl borate
IUPAC NAME: trimethyl borate
SYSTEMATIC NAME: trimethyl borate
MOLECULAR FORMULA: C3H9BO3
MOLECULAR WEIGHT: 103.91276
SMILES: B(OC)(OC)OC
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Product OPENEYE NAME: N,N-diethylethanamine
CAS Name: N,N-diethylethanamine
IUPAC NAME: N,N-diethylethanamine
SYSTEMATIC NAME: N,N-diethylethanamine
MOLECULAR FORMULA: C6H15N
MOLECULAR WEIGHT: 101.19
SMILES: CCN(CC)CC
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Product OPENEYE NAME: trimethyl phosphite
CAS Name: phosphorous acid trimethyl ester
IUPAC NAME: trimethyl phosphite
SYSTEMATIC NAME: trimethyl phosphite
MOLECULAR FORMULA: C3H9O3P
MOLECULAR WEIGHT: 124.075521
SMILES: COP(OC)OC
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-2,5-diene
CAS Name: bicyclo[2.2.1]hepta-2,5-diene
IUPAC NAME: bicyclo[2.2.1]hepta-2,5-diene
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-2,5-diene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C1C2C=CC1C=C2
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