Product OPENEYE NAME: bicyclo[2.2.1]hept-2-ene
CAS Name: bicyclo[2.2.1]hept-2-ene
IUPAC NAME: bicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: bicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC2CC1C=C2
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Product OPENEYE NAME: 2-(4-methylcyclohexyl)propan-2-ol
CAS Name: 2-(4-methylcyclohexyl)-2-propanol
IUPAC NAME: 2-(4-methylcyclohexyl)propan-2-ol
SYSTEMATIC NAME: 2-(4-methylcyclohexyl)propan-2-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC1CCC(CC1)C(C)(C)O
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Product OPENEYE NAME: 3-isopropenyl-1-methyl-cyclohexene
CAS Name: 1-methyl-3-(1-methylethenyl)cyclohexene
IUPAC NAME: 1-methyl-3-prop-1-en-2-ylcyclohexene
SYSTEMATIC NAME: 1-methyl-3-prop-1-en-2-yl-cyclohexene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1=CC(CCC1)C(=C)C
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Product OPENEYE NAME: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CAS Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
IUPAC NAME: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SYSTEMATIC NAME: 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: CN1CCC=C(C1)C(=O)O
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Product OPENEYE NAME: 3,5-dimethylbenzoic acid
CAS Name: 3,5-dimethylbenzoic acid
IUPAC NAME: 3,5-dimethylbenzoic acid
SYSTEMATIC NAME: 3,5-dimethylbenzoic acid
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=CC(=CC(=C1)C(=O)O)C
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
CAS Name: (2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]oxane-2,3,4,5-tetrol
IUPAC NAME: (2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O
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Product OPENEYE NAME: [(1S,2S)-2-hydroxy-1-(methoxymethyl)propyl]imino-oct-1-enyl-oxido-ammonium
CAS Name: [(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-oct-1-enyl-oxidoammonium
IUPAC NAME: [(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-oct-1-enyl-oxidoazanium
SYSTEMATIC NAME: [(2S,3S)-1-methoxy-3-oxidanyl-butan-2-yl]imino-oct-1-enyl-oxidanidyl-azanium
MOLECULAR FORMULA: C13H26N2O3
MOLECULAR WEIGHT: 258.35714
SMILES: CCCCCCC=C[N+](=N[C@@H](COC)[C@H](C)O)[O-]
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Product OPENEYE NAME: 2-amino-1-(3,4-dihydroxyphenyl)ethanone
CAS Name: 2-amino-1-(3,4-dihydroxyphenyl)ethanone
IUPAC NAME: 2-amino-1-(3,4-dihydroxyphenyl)ethanone
SYSTEMATIC NAME: 2-azanyl-1-[3,4-bis(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: C1=CC(=C(C=C1C(=O)CN)O)O
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Product OPENEYE NAME: 4-fluoro-3-iodo-benzoic acid
CAS Name: 4-fluoro-3-iodobenzoic acid
IUPAC NAME: 4-fluoro-3-iodobenzoic acid
SYSTEMATIC NAME: 4-fluoranyl-3-iodanyl-benzoic acid
MOLECULAR FORMULA: C7H4FIO2
MOLECULAR WEIGHT: 266.008333
SMILES: C1=CC(=C(C=C1C(=O)O)I)F
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Product OPENEYE NAME: 5-isopropyl-2-methyl-cyclohexanone
CAS Name: 2-methyl-5-propan-2-yl-1-cyclohexanone
IUPAC NAME: 2-methyl-5-propan-2-ylcyclohexan-1-one
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-cyclohexan-1-one
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1CCC(CC1=O)C(C)C
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Product OPENEYE NAME: 3-isopropyl-6-methyl-cyclohex-2-en-1-one
CAS Name: 6-methyl-3-propan-2-yl-1-cyclohex-2-enone
IUPAC NAME: 6-methyl-3-propan-2-ylcyclohex-2-en-1-one
SYSTEMATIC NAME: 6-methyl-3-propan-2-yl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC1CCC(=CC1=O)C(C)C
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Product OPENEYE NAME: 5-isopropyl-2-methyl-phenol
CAS Name: 2-methyl-5-propan-2-ylphenol
IUPAC NAME: 2-methyl-5-propan-2-ylphenol
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-phenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=C(C=C(C=C1)C(C)C)O
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Product OPENEYE NAME: pyridine-2,4-dicarboxylic acid
CAS Name: pyridine-2,4-dicarboxylic acid
IUPAC NAME: pyridine-2,4-dicarboxylic acid
SYSTEMATIC NAME: pyridine-2,4-dicarboxylic acid
MOLECULAR FORMULA: C7H5NO4
MOLECULAR WEIGHT: 167.1189
SMILES: C1=CN=C(C=C1C(=O)O)C(=O)O
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Product OPENEYE NAME: pyridine-3,5-dicarboxylic acid
CAS Name: pyridine-3,5-dicarboxylic acid
IUPAC NAME: pyridine-3,5-dicarboxylic acid
SYSTEMATIC NAME: pyridine-3,5-dicarboxylic acid
MOLECULAR FORMULA: C7H5NO4
MOLECULAR WEIGHT: 167.1189
SMILES: C1=C(C=NC=C1C(=O)O)C(=O)O
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Product OPENEYE NAME: pyridine-2,6-dicarboxylic acid
CAS Name: pyridine-2,6-dicarboxylic acid
IUPAC NAME: pyridine-2,6-dicarboxylic acid
SYSTEMATIC NAME: pyridine-2,6-dicarboxylic acid
MOLECULAR FORMULA: C7H5NO4
MOLECULAR WEIGHT: 167.1189
SMILES: C1=CC(=NC(=C1)C(=O)O)C(=O)O
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Product OPENEYE NAME: 1-isopropyl-4-methyl-cyclohexene
CAS Name: 4-methyl-1-propan-2-ylcyclohexene
IUPAC NAME: 4-methyl-1-propan-2-ylcyclohexene
SYSTEMATIC NAME: 4-methyl-1-propan-2-yl-cyclohexene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC1CCC(=CC1)C(C)C
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Product OPENEYE NAME: pyridine-3-carbaldehyde
CAS Name: 3-pyridinecarboxaldehyde
IUPAC NAME: pyridine-3-carbaldehyde
SYSTEMATIC NAME: pyridine-3-carbaldehyde
MOLECULAR FORMULA: C6H5NO
MOLECULAR WEIGHT: 107.11
SMILES: C1=CC(=CN=C1)C=O
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Product OPENEYE NAME: (3-chloro-4-nitro-phenoxy)-dimethoxy-thioxo-$l^{5}-phosphane
CAS Name: (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane
IUPAC NAME: (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (3-chloranyl-4-nitro-phenoxy)-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H9ClNO5PS
MOLECULAR WEIGHT: 297.652521
SMILES: COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl
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