Product OPENEYE NAME: 4-ethoxybenzoic acid
CAS Name: 4-ethoxybenzoic acid
IUPAC NAME: 4-ethoxybenzoic acid
SYSTEMATIC NAME: 4-ethoxybenzoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: (4-nitrophenyl)methyl acetate
CAS Name: acetic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl acetate
SYSTEMATIC NAME: (4-nitrophenyl)methyl ethanoate
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4-nitroanilino)acetic acid
CAS Name: 2-(4-nitroanilino)acetic acid
IUPAC NAME: 2-(4-nitroanilino)acetic acid
SYSTEMATIC NAME: 2-[(4-nitrophenyl)amino]ethanoic acid
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: C1=CC(=CC=C1NCC(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: 3-ethylhexane
CAS Name: 3-ethylhexane
IUPAC NAME: 3-ethylhexane
SYSTEMATIC NAME: 3-ethylhexane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCCC(CC)CC
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Product OPENEYE NAME: 5-methylfuran-2-carbaldehyde
CAS Name: 5-methyl-2-furancarboxaldehyde
IUPAC NAME: 5-methylfuran-2-carbaldehyde
SYSTEMATIC NAME: 5-methylfuran-2-carbaldehyde
MOLECULAR FORMULA: C6H6O2
MOLECULAR WEIGHT: 110.11064
SMILES: CC1=CC=C(O1)C=O
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Product OPENEYE NAME: iodomethylbenzene
CAS Name: iodomethylbenzene
IUPAC NAME: iodomethylbenzene
SYSTEMATIC NAME: iodanylmethylbenzene
MOLECULAR FORMULA: C7H7I
MOLECULAR WEIGHT: 218.03495
SMILES: C1=CC=C(C=C1)CI
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Product OPENEYE NAME: 1-(bromomethyl)-3-methyl-benzene
CAS Name: 1-(bromomethyl)-3-methylbenzene
IUPAC NAME: 1-(bromomethyl)-3-methylbenzene
SYSTEMATIC NAME: 1-(bromomethyl)-3-methyl-benzene
MOLECULAR FORMULA: C8H9Br
MOLECULAR WEIGHT: 185.06106
SMILES: CC1=CC(=CC=C1)CBr
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Product OPENEYE NAME: 1-ethyl-3-methyl-benzene
CAS Name: 1-ethyl-3-methylbenzene
IUPAC NAME: 1-ethyl-3-methylbenzene
SYSTEMATIC NAME: 1-ethyl-3-methyl-benzene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: CCC1=CC=CC(=C1)C
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Product OPENEYE NAME: 3-ethylphenol
CAS Name: 3-ethylphenol
IUPAC NAME: 3-ethylphenol
SYSTEMATIC NAME: 3-ethylphenol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CCC1=CC(=CC=C1)O
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Product OPENEYE NAME: 1-(chloromethyl)-3-methyl-benzene
CAS Name: 1-(chloromethyl)-3-methylbenzene
IUPAC NAME: 1-(chloromethyl)-3-methylbenzene
SYSTEMATIC NAME: 1-(chloromethyl)-3-methyl-benzene
MOLECULAR FORMULA: C8H9Cl
MOLECULAR WEIGHT: 140.61006
SMILES: CC1=CC(=CC=C1)CCl
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Product OPENEYE NAME: 1-chloro-3-(chloromethyl)benzene
CAS Name: 1-chloro-3-(chloromethyl)benzene
IUPAC NAME: 1-chloro-3-(chloromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-3-(chloromethyl)benzene
MOLECULAR FORMULA: C7H6Cl2
MOLECULAR WEIGHT: 161.02854
SMILES: C1=CC(=CC(=C1)Cl)CCl
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Product OPENEYE NAME: 3-methylbenzonitrile
CAS Name: 3-methylbenzonitrile
IUPAC NAME: 3-methylbenzonitrile
SYSTEMATIC NAME: 3-methylbenzenecarbonitrile
MOLECULAR FORMULA: C8H7N
MOLECULAR WEIGHT: 117.14788
SMILES: CC1=CC=CC(=C1)C#N
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Product OPENEYE NAME: 3-methylbenzaldehyde
CAS Name: 3-methylbenzaldehyde
IUPAC NAME: 3-methylbenzaldehyde
SYSTEMATIC NAME: 3-methylbenzaldehyde
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: CC1=CC=CC(=C1)C=O
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Product OPENEYE NAME: tris-p-tolyl phosphite
CAS Name: phosphorous acid tris(4-methylphenyl) ester
IUPAC NAME: tris(4-methylphenyl) phosphite
SYSTEMATIC NAME: tris(4-methylphenyl) phosphite
MOLECULAR FORMULA: C21H21O3P
MOLECULAR WEIGHT: 352.363401
SMILES: CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
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Product OPENEYE NAME: N-phenylpropanamide
CAS Name: N-phenylpropanamide
IUPAC NAME: N-phenylpropanamide
SYSTEMATIC NAME: N-phenylpropanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CCC(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: phenyl 2-chloroacetate
CAS Name: 2-chloroacetic acid phenyl ester
IUPAC NAME: phenyl 2-chloroacetate
SYSTEMATIC NAME: phenyl 2-chloranylethanoate
MOLECULAR FORMULA: C8H7ClO2
MOLECULAR WEIGHT: 170.59298
SMILES: C1=CC=C(C=C1)OC(=O)CCl
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Product OPENEYE NAME: 4-methyl-N-phenyl-aniline
CAS Name: 4-methyl-N-phenylaniline
IUPAC NAME: 4-methyl-N-phenylaniline
SYSTEMATIC NAME: 4-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: CC1=CC=C(C=C1)NC2=CC=CC=C2
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Product OPENEYE NAME: 1-nitro-4-phenoxy-benzene
CAS Name: 1-nitro-4-phenoxybenzene
IUPAC NAME: 1-nitro-4-phenoxybenzene
SYSTEMATIC NAME: 1-nitro-4-phenoxy-benzene
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
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