Product OPENEYE NAME: cyclooctane; nickel
CAS Name: cyclooctane; nickel
IUPAC NAME: cyclooctane; nickel
SYSTEMATIC NAME: cyclooctane; nickel
MOLECULAR FORMULA: C16H16Ni
MOLECULAR WEIGHT: 266.99164
SMILES: C1C[C][C]CC[C][C]1.C1C[C][C]CC[C][C]1.[Ni]
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Product OPENEYE NAME: cycloocta-1,5-diyne
CAS Name: cycloocta-1,5-diyne
IUPAC NAME: cycloocta-1,5-diyne
SYSTEMATIC NAME: cycloocta-1,5-diyne
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C1CC#CCCC#C1
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Product OPENEYE NAME: disodium 2,3-dihydroxypropyl phosphate
CAS Name: disodium 2,3-dihydroxypropyl phosphate
IUPAC NAME: disodium 2,3-dihydroxypropyl phosphate
SYSTEMATIC NAME: disodium 2,3-bis(oxidanyl)propyl phosphate
MOLECULAR FORMULA: C3H7Na2O6P
MOLECULAR WEIGHT: 216.037381
SMILES: C(C(COP(=O)([O-])[O-])O)O.[Na+].[Na+]
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Product OPENEYE NAME: 3,4-dimethylbenzenesulfonic acid
CAS Name: 3,4-dimethylbenzenesulfonic acid
IUPAC NAME: 3,4-dimethylbenzenesulfonic acid
SYSTEMATIC NAME: 3,4-dimethylbenzenesulfonic acid
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)O)C
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Product OPENEYE NAME: acetic acid; p-tolylmercury
CAS Name: acetic acid; (4-methylphenyl)mercury
IUPAC NAME: acetic acid; (4-methylphenyl)mercury
SYSTEMATIC NAME: ethanoic acid; (4-methylphenyl)mercury
MOLECULAR FORMULA: C9H11HgO2
MOLECULAR WEIGHT: 351.77244
SMILES: CC1=CC=C(C=C1)[Hg].CC(=O)O
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Product OPENEYE NAME: p-tolylmercury
CAS Name: (4-methylphenyl)mercury
IUPAC NAME: (4-methylphenyl)mercury
SYSTEMATIC NAME: (4-methylphenyl)mercury
MOLECULAR FORMULA: C7H7Hg
MOLECULAR WEIGHT: 291.72048
SMILES: CC1=CC=C(C=C1)[Hg]
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Product OPENEYE NAME: 5-methyl-2-pentyl-phenol
CAS Name: 5-methyl-2-pentylphenol
IUPAC NAME: 5-methyl-2-pentylphenol
SYSTEMATIC NAME: 5-methyl-2-pentyl-phenol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCCCCC1=C(C=C(C=C1)C)O
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Product OPENEYE NAME: 2,7-ditert-butylnaphthalene-1-sulfonic acid
CAS Name: 2,7-ditert-butyl-1-naphthalenesulfonic acid
IUPAC NAME: 2,7-ditert-butylnaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 2,7-ditert-butylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C18H24O3S
MOLECULAR WEIGHT: 320.44636
SMILES: CC(C)(C)C1=CC2=C(C=C1)C=CC(=C2S(=O)(=O)O)C(C)(C)C
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Product OPENEYE NAME: 2-(2-methyl-1-tridecyl-imidazole-1,3-diium-2-yl)ethanol chloride
CAS Name: 2-(2-methyl-1-tridecyl-2-imidazole-1,3-diiumyl)ethanol chloride
IUPAC NAME: 2-(2-methyl-1-tridecylimidazole-1,3-diium-2-yl)ethanol chloride
SYSTEMATIC NAME: 2-(2-methyl-1-tridecyl-imidazole-1,3-diium-2-yl)ethanol chloride
MOLECULAR FORMULA: C19H38ClN2O+
MOLECULAR WEIGHT: 345.97082
SMILES: CCCCCCCCCCCCC[N+]1=CC=[NH+]C1(C)CCO.[Cl-]
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Product OPENEYE NAME: 2-(2-methyl-1-tridecyl-imidazol-1-ium-2-yl)ethanol
CAS Name: 2-(2-methyl-1-tridecyl-2-imidazol-1-iumyl)ethanol
IUPAC NAME: 2-(2-methyl-1-tridecylimidazol-1-ium-2-yl)ethanol
SYSTEMATIC NAME: 2-(2-methyl-1-tridecyl-imidazol-1-ium-2-yl)ethanol
MOLECULAR FORMULA: C19H37N2O+
MOLECULAR WEIGHT: 309.50988
SMILES: CCCCCCCCCCCCC[N+]1=CC=NC1(C)CCO
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Product OPENEYE NAME: (5-ethylquinuclidin-2-yl)-(6-isopentyloxy-4-quinolyl)methanol
CAS Name: (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(3-methylbutoxy)-4-quinolinyl]methanol
IUPAC NAME: (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(3-methylbutoxy)quinolin-4-yl]methanol
SYSTEMATIC NAME: (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(3-methylbutoxy)quinolin-4-yl]methanol
MOLECULAR FORMULA: C24H34N2O2
MOLECULAR WEIGHT: 382.53896
SMILES: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCCC(C)C)O
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Product OPENEYE NAME: diferrous; 2,3-dihydroxypropyl phosphate; [3-hydroxy-1-(2-hydroxyethyl)propyl] phosphate
CAS Name: 1,5-dihydroxypentan-3-yl phosphate; 2,3-dihydroxypropyl phosphate; iron(2+)
IUPAC NAME: 1,5-dihydroxypentan-3-yl phosphate; 2,3-dihydroxypropyl phosphate; iron(2+)
SYSTEMATIC NAME: 1,5-bis(oxidanyl)pentan-3-yl phosphate; 2,3-bis(oxidanyl)propyl phosphate; iron(2+)
MOLECULAR FORMULA: C8H18Fe2O12P2
MOLECULAR WEIGHT: 479.858842
SMILES: C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[Fe+2].[Fe+2]
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Product OPENEYE NAME: sodium dioxoalumanuide
CAS Name: sodium dioxoalumanuide
IUPAC NAME: sodium dioxoalumanuide
SYSTEMATIC NAME: sodium bis(oxidanylidene)alumanuide
MOLECULAR FORMULA: AlNaO2
MOLECULAR WEIGHT: 81.970108
SMILES: O=[Al-]=O.[Na+]
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