Product OPENEYE NAME: 2-(diethylamino)ethyl 4-amino-2-butoxy-benzoate
CAS Name: 4-amino-2-butoxybenzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 4-amino-2-butoxybenzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-azanyl-2-butoxy-benzoate
MOLECULAR FORMULA: C17H28N2O3
MOLECULAR WEIGHT: 308.41582
SMILES: CCCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC
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Product OPENEYE NAME: 2-hydroxy-5-iodo-benzoic acid
CAS Name: 2-hydroxy-5-iodobenzoic acid
IUPAC NAME: 2-hydroxy-5-iodobenzoic acid
SYSTEMATIC NAME: 5-iodanyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5IO3
MOLECULAR WEIGHT: 264.01727
SMILES: C1=CC(=C(C=C1I)C(=O)O)O
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Product OPENEYE NAME: 3-(dimethylamino)-4-methyl-phenol
CAS Name: 3-(dimethylamino)-4-methylphenol
IUPAC NAME: 3-(dimethylamino)-4-methylphenol
SYSTEMATIC NAME: 3-(dimethylamino)-4-methyl-phenol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC1=C(C=C(C=C1)O)N(C)C
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Product OPENEYE NAME: 4-methyl-3-nitro-aniline
CAS Name: 4-methyl-3-nitroaniline
IUPAC NAME: 4-methyl-3-nitroaniline
SYSTEMATIC NAME: 4-methyl-3-nitro-aniline
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]
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Product OPENEYE NAME: 4-methyl-2-nitro-phenol
CAS Name: 4-methyl-2-nitrophenol
IUPAC NAME: 4-methyl-2-nitrophenol
SYSTEMATIC NAME: 4-methyl-2-nitro-phenol
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: CC1=CC(=C(C=C1)O)[N+](=O)[O-]
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Product OPENEYE NAME: (2-isopropyl-5-methyl-pyrazol-3-yl) N,N-dimethylcarbamate
CAS Name: N,N-dimethylcarbamic acid (5-methyl-2-propan-2-yl-3-pyrazolyl) ester
IUPAC NAME: (5-methyl-2-propan-2-ylpyrazol-3-yl) N,N-dimethylcarbamate
SYSTEMATIC NAME: (5-methyl-2-propan-2-yl-pyrazol-3-yl) N,N-dimethylcarbamate
MOLECULAR FORMULA: C10H17N3O2
MOLECULAR WEIGHT: 211.26088
SMILES: CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C
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Product OPENEYE NAME: 2H-phthalazin-1-one
CAS Name: 2H-phthalazin-1-one
IUPAC NAME: 2H-phthalazin-1-one
SYSTEMATIC NAME: 2H-phthalazin-1-one
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC=C2C(=C1)C=NNC2=O
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Product OPENEYE NAME: ethyl 2-(4-oxo-2-phenyl-chromen-7-yl)oxyacetate
CAS Name: 2-[(4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]acetic acid ethyl ester
IUPAC NAME: ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
SYSTEMATIC NAME: ethyl 2-(4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: CCOC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-cyclohexylphenol
CAS Name: 2-cyclohexylphenol
IUPAC NAME: 2-cyclohexylphenol
SYSTEMATIC NAME: 2-cyclohexylphenol
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: C1CCC(CC1)C2=CC=CC=C2O
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Product OPENEYE NAME: 2-amino-1,5-dihydropteridine-4,6-dione
CAS Name: 2-amino-1,5-dihydropteridine-4,6-dione
IUPAC NAME: 2-amino-1,5-dihydropteridine-4,6-dione
SYSTEMATIC NAME: 2-azanyl-1,5-dihydropteridine-4,6-dione
MOLECULAR FORMULA: C6H5N5O2
MOLECULAR WEIGHT: 179.1362
SMILES: C1=NC2=C(C(=O)N=C(N2)N)NC1=O
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Product OPENEYE NAME: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol
CAS Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
IUPAC NAME: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenol
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O
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Product OPENEYE NAME: 2-hydroxy-1,2-diphenyl-ethanone
CAS Name: 2-hydroxy-1,2-diphenylethanone
IUPAC NAME: 2-hydroxy-1,2-diphenylethanone
SYSTEMATIC NAME: 2-oxidanyl-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
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Product OPENEYE NAME: (4-chlorophenyl)-phenyl-methanol
CAS Name: (4-chlorophenyl)-phenylmethanol
IUPAC NAME: (4-chlorophenyl)-phenylmethanol
SYSTEMATIC NAME: (4-chlorophenyl)-phenyl-methanol
MOLECULAR FORMULA: C13H11ClO
MOLECULAR WEIGHT: 218.67884
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O
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Product OPENEYE NAME: 4-(4-aminophenyl)sulfinylaniline
CAS Name: 4-(4-aminophenyl)sulfinylaniline
IUPAC NAME: 4-(4-aminophenyl)sulfinylaniline
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfinylaniline
MOLECULAR FORMULA: C12H12N2OS
MOLECULAR WEIGHT: 232.30148
SMILES: C1=CC(=CC=C1N)S(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: dicyclohexylmethanone
CAS Name: dicyclohexylmethanone
IUPAC NAME: dicyclohexylmethanone
SYSTEMATIC NAME: dicyclohexylmethanone
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: C1CCC(CC1)C(=O)C2CCCCC2
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Product OPENEYE NAME: tetralin
CAS Name: 1,2,3,4-tetrahydronaphthalene
IUPAC NAME: 1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1CCC2=CC=CC=C2C1
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Product OPENEYE NAME: isoquinoline
CAS Name: isoquinoline
IUPAC NAME: isoquinoline
SYSTEMATIC NAME: isoquinoline
MOLECULAR FORMULA: C9H7N
MOLECULAR WEIGHT: 129.15858
SMILES: C1=CC=C2C=NC=CC2=C1
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Product OPENEYE NAME: 2-formylbenzoic acid
CAS Name: 2-formylbenzoic acid
IUPAC NAME: 2-formylbenzoic acid
SYSTEMATIC NAME: 2-methanoylbenzoic acid
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1=CC=C(C(=C1)C=O)C(=O)O
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Product OPENEYE NAME: 2-nitro-N-phenyl-aniline
CAS Name: 2-nitro-N-phenylaniline
IUPAC NAME: 2-nitro-N-phenylaniline
SYSTEMATIC NAME: 2-nitro-N-phenyl-aniline
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: 5-aminonaphthalene-2-sulfonic acid
CAS Name: 5-amino-2-naphthalenesulfonic acid
IUPAC NAME: 5-aminonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 5-azanylnaphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N
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Product OPENEYE NAME: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
CAS Name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
IUPAC NAME: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
SYSTEMATIC NAME: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
MOLECULAR FORMULA: C14H10O4S2
MOLECULAR WEIGHT: 306.3568
SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
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