Product OPENEYE NAME: cyclododecanone
CAS Name: cyclododecanone
IUPAC NAME: cyclododecanone
SYSTEMATIC NAME: cyclododecanone
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: C1CCCCCC(=O)CCCCC1
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Product OPENEYE NAME: 1-naphthyl acetate
CAS Name: acetic acid 1-naphthalenyl ester
IUPAC NAME: naphthalen-1-yl acetate
SYSTEMATIC NAME: naphthalen-1-yl ethanoate
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: CC(=O)OC1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: 1-(5-bromo-1H-indol-3-yl)-N,N-dimethyl-methanamine
CAS Name: 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
IUPAC NAME: 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-(5-bromanyl-1H-indol-3-yl)-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C11H13BrN2
MOLECULAR WEIGHT: 253.13832
SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)Br
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Product OPENEYE NAME: ethyl 3,4,5-trihydroxybenzoate
CAS Name: 3,4,5-trihydroxybenzoic acid ethyl ester
IUPAC NAME: ethyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: ethyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C9H10O5
MOLECULAR WEIGHT: 198.1727
SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)O
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Product OPENEYE NAME: (4-amino-3,5-dimethyl-phenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (4-amino-3,5-dimethylphenyl) ester
IUPAC NAME: (4-amino-3,5-dimethylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (4-azanyl-3,5-dimethyl-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC1=CC(=CC(=C1N)C)OC(=O)NC
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Product OPENEYE NAME: 1-benzyl-4-chloro-benzene
CAS Name: 1-chloro-4-(phenylmethyl)benzene
IUPAC NAME: 1-benzyl-4-chlorobenzene
SYSTEMATIC NAME: 1-chloranyl-4-(phenylmethyl)benzene
MOLECULAR FORMULA: C13H11Cl
MOLECULAR WEIGHT: 202.67944
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 4-phenoxyphenol
CAS Name: 4-phenoxyphenol
IUPAC NAME: 4-phenoxyphenol
SYSTEMATIC NAME: 4-phenoxyphenol
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)O
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Product OPENEYE NAME: benzylsulfanylbenzene
CAS Name: (phenylmethylthio)benzene
IUPAC NAME: benzylsulfanylbenzene
SYSTEMATIC NAME: (phenylmethylsulfanyl)benzene
MOLECULAR FORMULA: C13H12S
MOLECULAR WEIGHT: 200.29938
SMILES: C1=CC=C(C=C1)CSC2=CC=CC=C2
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Product OPENEYE NAME: 4-methylphenanthrene
CAS Name: 4-methylphenanthrene
IUPAC NAME: 4-methylphenanthrene
SYSTEMATIC NAME: 4-methylphenanthrene
MOLECULAR FORMULA: C15H12
MOLECULAR WEIGHT: 192.25578
SMILES: CC1=CC=CC2=C1C3=CC=CC=C3C=C2
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Product OPENEYE NAME: 1-methylphenanthrene
CAS Name: 1-methylphenanthrene
IUPAC NAME: 1-methylphenanthrene
SYSTEMATIC NAME: 1-methylphenanthrene
MOLECULAR FORMULA: C15H12
MOLECULAR WEIGHT: 192.25578
SMILES: CC1=CC=CC2=C1C=CC3=CC=CC=C32
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Product OPENEYE NAME: 3-methylphenanthrene
CAS Name: 3-methylphenanthrene
IUPAC NAME: 3-methylphenanthrene
SYSTEMATIC NAME: 3-methylphenanthrene
MOLECULAR FORMULA: C15H12
MOLECULAR WEIGHT: 192.25578
SMILES: CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
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Product OPENEYE NAME: 1-(5-bromo-1H-indol-3-yl)-2-methyl-propan-2-amine
CAS Name: 1-(5-bromo-1H-indol-3-yl)-2-methyl-2-propanamine
IUPAC NAME: 1-(5-bromo-1H-indol-3-yl)-2-methylpropan-2-amine
SYSTEMATIC NAME: 1-(5-bromanyl-1H-indol-3-yl)-2-methyl-propan-2-amine
MOLECULAR FORMULA: C12H15BrN2
MOLECULAR WEIGHT: 267.1649
SMILES: CC(C)(CC1=CNC2=C1C=C(C=C2)Br)N
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Product OPENEYE NAME: 1-(5-chloro-1H-indol-3-yl)-2-methyl-propan-2-amine
CAS Name: 1-(5-chloro-1H-indol-3-yl)-2-methyl-2-propanamine
IUPAC NAME: 1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-amine
SYSTEMATIC NAME: 1-(5-chloranyl-1H-indol-3-yl)-2-methyl-propan-2-amine
MOLECULAR FORMULA: C12H15ClN2
MOLECULAR WEIGHT: 222.7139
SMILES: CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)N
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Product OPENEYE NAME: 2-(2-nitrophenyl)ethyl acetate
CAS Name: acetic acid 2-(2-nitrophenyl)ethyl ester
IUPAC NAME: 2-(2-nitrophenyl)ethyl acetate
SYSTEMATIC NAME: 2-(2-nitrophenyl)ethyl ethanoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC(=O)OCCC1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-oxochromen-6-yl)acetamide
CAS Name: N-(2-oxo-1-benzopyran-6-yl)acetamide
IUPAC NAME: N-(2-oxochromen-6-yl)acetamide
SYSTEMATIC NAME: N-(2-oxidanylidenechromen-6-yl)ethanamide
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: CC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2
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Product OPENEYE NAME: N4-ethyl-N2-isopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Name: N4-ethyl-6-(methylthio)-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N4-ethyl-6-methylsulfanyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H17N5S
MOLECULAR WEIGHT: 227.32978
SMILES: CCNC1=NC(=NC(=N1)SC)NC(C)C
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Product OPENEYE NAME: 1-benzyl-4-methoxy-benzene
CAS Name: 1-methoxy-4-(phenylmethyl)benzene
IUPAC NAME: 1-benzyl-4-methoxybenzene
SYSTEMATIC NAME: 1-methoxy-4-(phenylmethyl)benzene
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: COC1=CC=C(C=C1)CC2=CC=CC=C2
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Product OPENEYE NAME: 4-styrylaniline
CAS Name: 4-(2-phenylethenyl)aniline
IUPAC NAME: 4-(2-phenylethenyl)aniline
SYSTEMATIC NAME: 4-(2-phenylethenyl)aniline
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N
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Product OPENEYE NAME: 1-(diaminomethylene)-2-(2-phenylethyl)guanidine hydrochloride
CAS Name: 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine hydrochloride
IUPAC NAME: 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(2-phenylethyl)guanidine hydrochloride
MOLECULAR FORMULA: C10H16ClN5
MOLECULAR WEIGHT: 241.72054
SMILES: C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl
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