Product OPENEYE NAME: dimethyl 2-methylbut-2-enedioate
CAS Name: 2-methyl-2-butenedioic acid dimethyl ester
IUPAC NAME: dimethyl 2-methylbut-2-enedioate
SYSTEMATIC NAME: dimethyl 2-methylbut-2-enedioate
MOLECULAR FORMULA: C7H10O4
MOLECULAR WEIGHT: 158.1519
SMILES: CC(=CC(=O)OC)C(=O)OC
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Product OPENEYE NAME: 2-methylpentanedioic acid
CAS Name: 2-methylpentanedioic acid
IUPAC NAME: 2-methylpentanedioic acid
SYSTEMATIC NAME: 2-methylpentanedioic acid
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: CC(CCC(=O)O)C(=O)O
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Product OPENEYE NAME: 2,6-diaminohexanoic acid hydrochloride
CAS Name: 2,6-diaminohexanoic acid hydrochloride
IUPAC NAME: 2,6-diaminohexanoic acid hydrochloride
SYSTEMATIC NAME: 2,6-bis(azanyl)hexanoic acid hydrochloride
MOLECULAR FORMULA: C6H15ClN2O2
MOLECULAR WEIGHT: 182.6485
SMILES: C(CCN)CC(C(=O)O)N.Cl
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Product OPENEYE NAME: 3-ethylpentane
CAS Name: 3-ethylpentane
IUPAC NAME: 3-ethylpentane
SYSTEMATIC NAME: 3-ethylpentane
MOLECULAR FORMULA: C7H16
MOLECULAR WEIGHT: 100.20194
SMILES: CCC(CC)CC
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Product OPENEYE NAME: 2-ethylbutan-1-amine
CAS Name: 2-ethyl-1-butanamine
IUPAC NAME: 2-ethylbutan-1-amine
SYSTEMATIC NAME: 2-ethylbutan-1-amine
MOLECULAR FORMULA: C6H15N
MOLECULAR WEIGHT: 101.19
SMILES: CCC(CC)CN
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Product OPENEYE NAME: diethylcyanamide
CAS Name: diethylcyanamide
IUPAC NAME: diethylcyanamide
SYSTEMATIC NAME: diethylcyanamide
MOLECULAR FORMULA: C5H10N2
MOLECULAR WEIGHT: 98.1463
SMILES: CCN(CC)C#N
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Product OPENEYE NAME: N,N-diethylformamide
CAS Name: N,N-diethylformamide
IUPAC NAME: N,N-diethylformamide
SYSTEMATIC NAME: N,N-diethylmethanamide
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CCN(CC)C=O
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Product OPENEYE NAME: triethylsilane
CAS Name: triethylsilane
IUPAC NAME: triethylsilane
SYSTEMATIC NAME: triethylsilane
MOLECULAR FORMULA: C6H16Si
MOLECULAR WEIGHT: 116.27674
SMILES: CC[SiH](CC)CC
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Product OPENEYE NAME: 2-phenylpropan-2-ol
CAS Name: 2-phenyl-2-propanol
IUPAC NAME: 2-phenylpropan-2-ol
SYSTEMATIC NAME: 2-phenylpropan-2-ol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C)(C1=CC=CC=C1)O
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Product OPENEYE NAME: 4-phosphonobenzoic acid
CAS Name: 4-phosphonobenzoic acid
IUPAC NAME: 4-phosphonobenzoic acid
SYSTEMATIC NAME: 4-phosphonobenzoic acid
MOLECULAR FORMULA: C7H7O5P
MOLECULAR WEIGHT: 202.101241
SMILES: C1=CC(=CC=C1C(=O)O)P(=O)(O)O
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Product OPENEYE NAME: [4-[(2-amino-2-oxo-ethyl)amino]phenyl]arsonic acid
CAS Name: [4-[(2-amino-2-oxoethyl)amino]phenyl]arsonic acid
IUPAC NAME: [4-[(2-amino-2-oxoethyl)amino]phenyl]arsonic acid
SYSTEMATIC NAME: [4-[(2-azanyl-2-oxidanylidene-ethyl)amino]phenyl]arsonic acid
MOLECULAR FORMULA: C8H11AsN2O4
MOLECULAR WEIGHT: 274.10554
SMILES: C1=CC(=CC=C1NCC(=O)N)[As](=O)(O)O
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Product OPENEYE NAME: benzoyl bromide
CAS Name: benzoyl bromide
IUPAC NAME: benzoyl bromide
SYSTEMATIC NAME: benzoyl bromide
MOLECULAR FORMULA: C7H5BrO
MOLECULAR WEIGHT: 185.018
SMILES: C1=CC=C(C=C1)C(=O)Br
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Product OPENEYE NAME: benzenesulfinic acid
CAS Name: benzenesulfinic acid
IUPAC NAME: benzenesulfinic acid
SYSTEMATIC NAME: benzenesulfinic acid
MOLECULAR FORMULA: C6H6O2S
MOLECULAR WEIGHT: 142.17564
SMILES: C1=CC=C(C=C1)S(=O)O
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Product OPENEYE NAME: 1-(1-piperidyl)ethanone
CAS Name: 1-(1-piperidinyl)ethanone
IUPAC NAME: 1-piperidin-1-ylethanone
SYSTEMATIC NAME: 1-piperidin-1-ylethanone
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: CC(=O)N1CCCCC1
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Product OPENEYE NAME: 3-isopropylphenol
CAS Name: 3-propan-2-ylphenol
IUPAC NAME: 3-propan-2-ylphenol
SYSTEMATIC NAME: 3-propan-2-ylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C)C1=CC(=CC=C1)O
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Product OPENEYE NAME: 3-iodobenzoic acid
CAS Name: 3-iodobenzoic acid
IUPAC NAME: 3-iodobenzoic acid
SYSTEMATIC NAME: 3-iodanylbenzoic acid
MOLECULAR FORMULA: C7H5IO2
MOLECULAR WEIGHT: 248.01787
SMILES: C1=CC(=CC(=C1)I)C(=O)O
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Product OPENEYE NAME: (3-azaniumyl-5-carboxy-phenyl)ammonium dichloride
CAS Name: (3-ammonio-5-carboxyphenyl)ammonium dichloride
IUPAC NAME: (3-azaniumyl-5-carboxyphenyl)azanium dichloride
SYSTEMATIC NAME: (3-azaniumyl-5-carboxy-phenyl)azanium dichloride
MOLECULAR FORMULA: C7H10Cl2N2O2
MOLECULAR WEIGHT: 225.0725
SMILES: C1=C(C=C(C=C1[NH3+])[NH3+])C(=O)O.[Cl-].[Cl-]
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Product OPENEYE NAME: 3,5-diaminobenzoic acid
CAS Name: 3,5-diaminobenzoic acid
IUPAC NAME: 3,5-diaminobenzoic acid
SYSTEMATIC NAME: 3,5-bis(azanyl)benzoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=C(C=C(C=C1N)N)C(=O)O
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Product OPENEYE NAME: 3,5-dibromobenzoic acid
CAS Name: 3,5-dibromobenzoic acid
IUPAC NAME: 3,5-dibromobenzoic acid
SYSTEMATIC NAME: 3,5-bis(bromanyl)benzoic acid
MOLECULAR FORMULA: C7H4Br2O2
MOLECULAR WEIGHT: 279.91346
SMILES: C1=C(C=C(C=C1Br)Br)C(=O)O
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Product OPENEYE NAME: 1,3-dichloro-5-nitro-benzene
CAS Name: 1,3-dichloro-5-nitrobenzene
IUPAC NAME: 1,3-dichloro-5-nitrobenzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-5-nitro-benzene
MOLECULAR FORMULA: C6H3Cl2NO2
MOLECULAR WEIGHT: 191.99952
SMILES: C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 4-hydroxy-3,5-diiodo-benzoic acid
CAS Name: 4-hydroxy-3,5-diiodobenzoic acid
IUPAC NAME: 4-hydroxy-3,5-diiodobenzoic acid
SYSTEMATIC NAME: 3,5-bis(iodanyl)-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4I2O3
MOLECULAR WEIGHT: 389.9138
SMILES: C1=C(C=C(C(=C1I)O)I)C(=O)O
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Product OPENEYE NAME: 2,6-dichloro-4-nitro-phenol
CAS Name: 2,6-dichloro-4-nitrophenol
IUPAC NAME: 2,6-dichloro-4-nitrophenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-nitro-phenol
MOLECULAR FORMULA: C6H3Cl2NO3
MOLECULAR WEIGHT: 207.99892
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 1-methyl-3,5-dinitro-benzene
CAS Name: 1-methyl-3,5-dinitrobenzene
IUPAC NAME: 1-methyl-3,5-dinitrobenzene
SYSTEMATIC NAME: 1-methyl-3,5-dinitro-benzene
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3,5-dinitroaniline
CAS Name: 3,5-dinitroaniline
IUPAC NAME: 3,5-dinitroaniline
SYSTEMATIC NAME: 3,5-dinitroaniline
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
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