Product OPENEYE NAME: 3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
CAS Name: 3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[4-[bis(2-fluoranylethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H17F2NO2
MOLECULAR WEIGHT: 257.276386
SMILES: C1=CC(=CC=C1CCC(=O)O)N(CCF)CCF
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Product OPENEYE NAME: 3-[4-[bis(2-fluoroethyl)amino]phenyl]prop-2-enoic acid
CAS Name: 3-[4-[bis(2-fluoroethyl)amino]phenyl]-2-propenoic acid
IUPAC NAME: 3-[4-[bis(2-fluoroethyl)amino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: 3-[4-[bis(2-fluoranylethyl)amino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C13H15F2NO2
MOLECULAR WEIGHT: 255.260506
SMILES: C1=CC(=CC=C1C=CC(=O)O)N(CCF)CCF
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Product OPENEYE NAME: 2-(1,2,2-trichloroethyldisulfanyl)propane
CAS Name: 2-(1,2,2-trichloroethyldisulfanyl)propane
IUPAC NAME: 2-(1,2,2-trichloroethyldisulfanyl)propane
SYSTEMATIC NAME: 2-[1,2,2-tris(chloranyl)ethyldisulfanyl]propane
MOLECULAR FORMULA: C5H9Cl3S2
MOLECULAR WEIGHT: 239.61396
SMILES: CC(C)SSC(C(Cl)Cl)Cl
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Product OPENEYE NAME: 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
CAS Name: 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
IUPAC NAME: 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
SYSTEMATIC NAME: 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
MOLECULAR FORMULA: C24H18As2N2O
MOLECULAR WEIGHT: 500.25572
SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5NC6=CC=CC=C64
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Product OPENEYE NAME: 1-phenylpiperidine
CAS Name: 1-phenylpiperidine
IUPAC NAME: 1-phenylpiperidine
SYSTEMATIC NAME: 1-phenylpiperidine
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: C1CCN(CC1)C2=CC=CC=C2
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Product OPENEYE NAME: [(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methanol
CAS Name: [(2S,5R)-5-(6-aminopurin-9-yl)-2-oxolanyl]methanol
IUPAC NAME: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
SYSTEMATIC NAME: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
MOLECULAR FORMULA: C10H13N5O2
MOLECULAR WEIGHT: 235.24252
SMILES: C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3N
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Product OPENEYE NAME: 2,6-dinitro-4-octyl-phenol
CAS Name: 2,6-dinitro-4-octylphenol
IUPAC NAME: 2,6-dinitro-4-octylphenol
SYSTEMATIC NAME: 2,6-dinitro-4-octyl-phenol
MOLECULAR FORMULA: C14H20N2O5
MOLECULAR WEIGHT: 296.319
SMILES: CCCCCCCCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(1-methylbutyl)-4,6-dinitro-phenol
CAS Name: 2,4-dinitro-6-pentan-2-ylphenol
IUPAC NAME: 2,4-dinitro-6-pentan-2-ylphenol
SYSTEMATIC NAME: 2,4-dinitro-6-pentan-2-yl-phenol
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: CCCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-tert-butyl-2,6-dinitro-phenol
CAS Name: 4-tert-butyl-2,6-dinitrophenol
IUPAC NAME: 4-tert-butyl-2,6-dinitrophenol
SYSTEMATIC NAME: 4-tert-butyl-2,6-dinitro-phenol
MOLECULAR FORMULA: C10H12N2O5
MOLECULAR WEIGHT: 240.21268
SMILES: CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
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Product OPENEYE NAME: 2,6-dinitro-4-phenyl-phenol
CAS Name: 2,6-dinitro-4-phenylphenol
IUPAC NAME: 2,6-dinitro-4-phenylphenol
SYSTEMATIC NAME: 2,6-dinitro-4-phenyl-phenol
MOLECULAR FORMULA: C12H8N2O5
MOLECULAR WEIGHT: 260.20232
SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]
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Product OPENEYE NAME: 4-cyclohexyl-2,6-dinitro-phenol
CAS Name: 4-cyclohexyl-2,6-dinitrophenol
IUPAC NAME: 4-cyclohexyl-2,6-dinitrophenol
SYSTEMATIC NAME: 4-cyclohexyl-2,6-dinitro-phenol
MOLECULAR FORMULA: C12H14N2O5
MOLECULAR WEIGHT: 266.24996
SMILES: C1CCC(CC1)C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]
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Product OPENEYE NAME: 2-isocyanato-1-(isocyanatomethyl)-1,5,5-trimethyl-cyclohexane
CAS Name: 2-isocyanato-1-(isocyanatomethyl)-1,5,5-trimethylcyclohexane
IUPAC NAME: 2-isocyanato-1-(isocyanatomethyl)-1,5,5-trimethylcyclohexane
SYSTEMATIC NAME: 2-isocyanato-1-(isocyanatomethyl)-1,5,5-trimethyl-cyclohexane
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC1(CCC(C(C1)(C)CN=C=O)N=C=O)C
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Product OPENEYE NAME: 3-isopropenyl-1,2-dimethyl-cyclopentanol
CAS Name: 1,2-dimethyl-3-(1-methylethenyl)-1-cyclopentanol
IUPAC NAME: 1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
SYSTEMATIC NAME: 1,2-dimethyl-3-prop-1-en-2-yl-cyclopentan-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1C(CCC1(C)O)C(=C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: C[C@]12CCC3C([C@@]14[C@H](O4)[C@@H]([C@@H]2C5=COC(=O)C=C5)O)CC[C@]6([C@@]3(CC[C@@H](C6)O)C)O
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Product OPENEYE NAME: 2-[(2R)-2-amino-2-carboxy-ethyl]sulfanylethylammonium chloride
CAS Name: 2-[[(2R)-2-amino-2-carboxyethyl]thio]ethylammonium chloride
IUPAC NAME: 2-[(2R)-2-amino-2-carboxyethyl]sulfanylethylazanium chloride
SYSTEMATIC NAME: 2-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanylethylazanium chloride
MOLECULAR FORMULA: C5H13ClN2O2S
MOLECULAR WEIGHT: 200.68692
SMILES: C(CSC[C@@H](C(=O)O)N)[NH3+].[Cl-]
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Product OPENEYE NAME: 2-amino-3-(2-aminoethylsulfanyl)propanoic acid
CAS Name: 2-amino-3-(2-aminoethylthio)propanoic acid
IUPAC NAME: 2-amino-3-(2-aminoethylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(2-azanylethylsulfanyl)propanoic acid
MOLECULAR FORMULA: C5H12N2O2S
MOLECULAR WEIGHT: 164.22598
SMILES: C(CSCC(C(=O)O)N)N
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Product OPENEYE NAME: 2-hexyl-4,6-dinitro-phenol
CAS Name: 2-hexyl-4,6-dinitrophenol
IUPAC NAME: 2-hexyl-4,6-dinitrophenol
SYSTEMATIC NAME: 2-hexyl-4,6-dinitro-phenol
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: CCCCCCC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-methyltetrahydrofuran-2,5-dione
CAS Name: 3-methyloxolane-2,5-dione
IUPAC NAME: 3-methyloxolane-2,5-dione
SYSTEMATIC NAME: 3-methyloxolane-2,5-dione
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: CC1CC(=O)OC1=O
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