Product OPENEYE NAME: 1-(3-hydroxyphenyl)ethanone
CAS Name: 1-(3-hydroxyphenyl)ethanone
IUPAC NAME: 1-(3-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3-hydroxyphenyl)ethanone
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC(=O)C1=CC(=CC=C1)O
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Product OPENEYE NAME: N,N,3-trimethylaniline
CAS Name: N,N,3-trimethylaniline
IUPAC NAME: N,N,3-trimethylaniline
SYSTEMATIC NAME: N,N,3-trimethylaniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC(=CC=C1)N(C)C
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Product OPENEYE NAME: 1-chloro-3-nitro-benzene
CAS Name: 1-chloro-3-nitrobenzene
IUPAC NAME: 1-chloro-3-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-3-nitro-benzene
MOLECULAR FORMULA: C6H4ClNO2
MOLECULAR WEIGHT: 157.55446
SMILES: C1=CC(=CC(=C1)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 1,3,5-trinitro-1,3,5-triazinane
CAS Name: 1,3,5-trinitro-1,3,5-triazinane
IUPAC NAME: 1,3,5-trinitro-1,3,5-triazinane
SYSTEMATIC NAME: 1,3,5-trinitro-1,3,5-triazinane
MOLECULAR FORMULA: C3H6N6O6
MOLECULAR WEIGHT: 222.11634
SMILES: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-chloro-1-methyl-4-nitro-benzene
CAS Name: 2-chloro-1-methyl-4-nitrobenzene
IUPAC NAME: 2-chloro-1-methyl-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-methyl-4-nitro-benzene
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-chloro-4-nitro-aniline
CAS Name: 2-chloro-4-nitroaniline
IUPAC NAME: 2-chloro-4-nitroaniline
SYSTEMATIC NAME: 2-chloranyl-4-nitro-aniline
MOLECULAR FORMULA: C6H5ClN2O2
MOLECULAR WEIGHT: 172.5691
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
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Product OPENEYE NAME: 1-(3-nitrophenyl)ethanone
CAS Name: 1-(3-nitrophenyl)ethanone
IUPAC NAME: 1-(3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(3-nitrophenyl)ethanone
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 3-nitrobenzoyl chloride
CAS Name: 3-nitrobenzoyl chloride
IUPAC NAME: 3-nitrobenzoyl chloride
SYSTEMATIC NAME: 3-nitrobenzoyl chloride
MOLECULAR FORMULA: C7H4ClNO3
MOLECULAR WEIGHT: 185.56456
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl
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Product OPENEYE NAME: isophthalic acid
CAS Name: benzene-1,3-dicarboxylic acid
IUPAC NAME: benzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C8H6O4
MOLECULAR WEIGHT: 166.13084
SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 3-nitrobenzoic acid
CAS Name: 3-nitrobenzoic acid
IUPAC NAME: 3-nitrobenzoic acid
SYSTEMATIC NAME: 3-nitrobenzoic acid
MOLECULAR FORMULA: C7H5NO4
MOLECULAR WEIGHT: 167.1189
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 2-[2-hydroxyethyl(isopropyl)amino]ethanol
CAS Name: 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
IUPAC NAME: 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
SYSTEMATIC NAME: 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
MOLECULAR FORMULA: C7H17NO2
MOLECULAR WEIGHT: 147.21538
SMILES: CC(C)N(CCO)CCO
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Product OPENEYE NAME: methyl 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid methyl ester
IUPAC NAME: methyl 4-methoxybenzoate
SYSTEMATIC NAME: methyl 4-methoxybenzoate
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: COC1=CC=C(C=C1)C(=O)OC
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Product OPENEYE NAME: 1-(p-tolyl)ethanone
CAS Name: 1-(4-methylphenyl)ethanone
IUPAC NAME: 1-(4-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-methylphenyl)ethanone
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: CC1=CC=C(C=C1)C(=O)C
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Product OPENEYE NAME: 4-chlorobenzoyl chloride
CAS Name: 4-chlorobenzoyl chloride
IUPAC NAME: 4-chlorobenzoyl chloride
SYSTEMATIC NAME: 4-chloranylbenzoyl chloride
MOLECULAR FORMULA: C7H4Cl2O
MOLECULAR WEIGHT: 175.01206
SMILES: C1=CC(=CC=C1C(=O)Cl)Cl
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Product OPENEYE NAME: 4-nitrobenzoyl chloride
CAS Name: 4-nitrobenzoyl chloride
IUPAC NAME: 4-nitrobenzoyl chloride
SYSTEMATIC NAME: 4-nitrobenzoyl chloride
MOLECULAR FORMULA: C7H4ClNO3
MOLECULAR WEIGHT: 185.56456
SMILES: C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 2,2-dimethoxy-N-methyl-ethanamine
CAS Name: 2,2-dimethoxy-N-methylethanamine
IUPAC NAME: 2,2-dimethoxy-N-methylethanamine
SYSTEMATIC NAME: 2,2-dimethoxy-N-methyl-ethanamine
MOLECULAR FORMULA: C5H13NO2
MOLECULAR WEIGHT: 119.16222
SMILES: CNCC(OC)OC
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Product OPENEYE NAME: benzyl(trimethyl)ammonium; methanolate
CAS Name: methanolate; trimethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl(trimethyl)azanium; methanolate
SYSTEMATIC NAME: methanolate; trimethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: C[N+](C)(C)CC1=CC=CC=C1.C[O-]
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Product OPENEYE NAME: disodium (2',7'-dibromo-3',6'-dioxido-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-4'-yl)mercury hydrate
CAS Name: disodium (2',7'-dibromo-3',6'-dioxido-3-oxo-4'-spiro[isobenzofuran-1,9'-xanthene]yl)mercury hydrate
IUPAC NAME: disodium (2',7'-dibromo-3',6'-dioxido-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)mercury hydrate
SYSTEMATIC NAME: disodium [2',7'-bis(bromanyl)-3',6'-bis(oxidanidyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-4'-yl]mercury hydrate
MOLECULAR FORMULA: C20H9Br2HgNa2O6
MOLECULAR WEIGHT: 751.6594
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=C(C(=C(C=C35)Br)[O-])[Hg])[O-])Br.O.[Na+].[Na+]
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Product OPENEYE NAME: (2',7'-dibromo-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-4'-yl)mercury
CAS Name: (2',7'-dibromo-3',6'-dihydroxy-3-oxo-4'-spiro[isobenzofuran-1,9'-xanthene]yl)mercury
IUPAC NAME: (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)mercury
SYSTEMATIC NAME: [2',7'-bis(bromanyl)-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-4'-yl]mercury
MOLECULAR FORMULA: C20H9Br2HgO5
MOLECULAR WEIGHT: 689.68046
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=C(C(=C(C=C35)Br)O)[Hg])O)Br
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Product OPENEYE NAME: sodium 4-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
CAS Name: sodium 4-[[4-(diethylamino)phenyl]-(4-diethyliminio-1-cyclohexa-2,5-dienylidene)methyl]benzene-1,3-disulfonate
IUPAC NAME: sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
SYSTEMATIC NAME: sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
MOLECULAR FORMULA: C27H31N2NaO6S2
MOLECULAR WEIGHT: 566.66461
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
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Product OPENEYE NAME: [4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium
CAS Name: [4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium
IUPAC NAME: [4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
SYSTEMATIC NAME: [4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium
MOLECULAR FORMULA: C27H33N2O6S2+
MOLECULAR WEIGHT: 545.69072
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O
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