Product OPENEYE NAME: 4-(1,1-dimethyldecyl)cyclohexene
CAS Name: 4-(2-methylundecan-2-yl)cyclohexene
IUPAC NAME: 4-(2-methylundecan-2-yl)cyclohexene
SYSTEMATIC NAME: 4-(2-methylundecan-2-yl)cyclohexene
MOLECULAR FORMULA: C18H34
MOLECULAR WEIGHT: 250.46256
SMILES: CCCCCCCCCC(C)(C)C1CCC=CC1
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Product OPENEYE NAME: 1-bromo-3-methyl-5-(trifluoromethyl)benzene
CAS Name: 1-bromo-3-methyl-5-(trifluoromethyl)benzene
IUPAC NAME: 1-bromo-3-methyl-5-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-bromanyl-3-methyl-5-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6BrF3
MOLECULAR WEIGHT: 239.03245
SMILES: CC1=CC(=CC(=C1)Br)C(F)(F)F
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Product OPENEYE NAME: 1-isopropyl-2-(trifluoromethyl)benzene
CAS Name: 1-propan-2-yl-2-(trifluoromethyl)benzene
IUPAC NAME: 1-propan-2-yl-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-propan-2-yl-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C10H11F3
MOLECULAR WEIGHT: 188.18955
SMILES: CC(C)C1=CC=CC=C1C(F)(F)F
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Product OPENEYE NAME: 1-propyl-4-(4-propylcyclohexyl)peroxy-cyclohexane
CAS Name: 1-propyl-4-(4-propylcyclohexyl)dioxycyclohexane
IUPAC NAME: 1-propyl-4-(4-propylcyclohexyl)peroxycyclohexane
SYSTEMATIC NAME: 1-propyl-4-(4-propylcyclohexyl)peroxy-cyclohexane
MOLECULAR FORMULA: C18H34O2
MOLECULAR WEIGHT: 282.46136
SMILES: CCCC1CCC(CC1)OOC2CCC(CC2)CCC
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Product OPENEYE NAME: benzene; o-xylene
CAS Name: benzene; 1,2-xylene
IUPAC NAME: benzene; 1,2-xylene
SYSTEMATIC NAME: benzene; 1,2-dimethylbenzene
MOLECULAR FORMULA: C14H16
MOLECULAR WEIGHT: 184.27684
SMILES: CC1=CC=CC=C1C.C1=CC=CC=C1
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Product OPENEYE NAME: 3-aminopropyl(triethoxy)ammonium
CAS Name: 3-aminopropyl(triethoxy)ammonium
IUPAC NAME: 3-aminopropyl(triethoxy)azanium
SYSTEMATIC NAME: 3-azanylpropyl(triethoxy)azanium
MOLECULAR FORMULA: C9H23N2O3+
MOLECULAR WEIGHT: 207.29052
SMILES: CCO[N+](CCCN)(OCC)OCC
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Product OPENEYE NAME: [3-[2-hydroxy-3-[3-[2-hydroxy-3-[3,3,3-tri(prop-2-enoyloxy)propoxy]propyl]-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]propoxy]-1,1-di(prop-2-enoyloxy)propyl] prop-2-enoate
CAS Name: 2-propenoic acid [3-[2-hydroxy-3-[3-[2-hydroxy-3-[3,3,3-tris(1-oxoprop-2-enoxy)propoxy]propyl]-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]propoxy]-1,1-bis(1-oxoprop-2-enoxy)propyl] ester
IUPAC NAME: [3-[2-hydroxy-3-[3-[2-hydroxy-3-[3,3,3-tri(prop-2-enoyloxy)propoxy]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propoxy]-1,1-di(prop-2-enoyloxy)propyl] prop-2-enoate
SYSTEMATIC NAME: [3-[3-[4,4-dimethyl-2,5-bis(oxidanylidene)-3-[2-oxidanyl-3-[3,3,3-tri(prop-2-enoyloxy)propoxy]propyl]imidazolidin-1-yl]-2-oxidanyl-propoxy]-1,1-di(prop-2-enoyloxy)propyl] prop-2-enoate
MOLECULAR FORMULA: C35H44N2O18
MOLECULAR WEIGHT: 780.72646
SMILES: CC1(C(=O)N(C(=O)N1CC(COCCC(OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C)O)CC(COCCC(OC(=O)C=C)(OC(=O)C=C)OC(=O)C=C)O)C
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Product OPENEYE NAME: dipotassium; 2,3-dihydroxybutanedioate; hydron; phosphate
CAS Name: dipotassium; 2,3-dihydroxybutanedioate; hydron; phosphate
IUPAC NAME: dipotassium; 2,3-dihydroxybutanedioate; hydron; phosphate
SYSTEMATIC NAME: dipotassium; 2,3-bis(oxidanyl)butanedioate; hydron; phosphate
MOLECULAR FORMULA: C4H5K2O10P-2
MOLECULAR WEIGHT: 322.246861
SMILES: [H+].C(C(C(=O)[O-])O)(C(=O)[O-])O.[O-]P(=O)([O-])[O-].[K+].[K+]
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Product OPENEYE NAME: carboxymethylammonium; hydroxy(dioxo)niobium; oxido(dioxo)niobium; sulfate
CAS Name: carboxymethylammonium; hydroxy(dioxo)niobium; oxido(dioxo)niobium; sulfate
IUPAC NAME: carboxymethylazanium; hydroxy(dioxo)niobium; oxido(dioxo)niobium; sulfate
SYSTEMATIC NAME: 2-hydroxy-2-oxoethylazanium; oxidanidyl-bis(oxidanylidene)niobium; oxidanyl-bis(oxidanylidene)niobium; sulfate
MOLECULAR FORMULA: C4H13N2Nb2O14S-
MOLECULAR WEIGHT: 531.02878
SMILES: C(C(=O)O)[NH3+].C(C(=O)O)[NH3+].O[Nb](=O)=O.[O-]S(=O)(=O)[O-].[O-][Nb](=O)=O
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Product OPENEYE NAME: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-1-nitroso-urea
CAS Name: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]-1-nitrosourea
IUPAC NAME: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1-nitroso-urea
MOLECULAR FORMULA: C13H18ClN5O6
MOLECULAR WEIGHT: 375.76492
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=O)N(CCCl)N=O
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Product OPENEYE NAME: 3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-1-methyl-1-nitroso-urea
CAS Name: 3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]-1-methyl-1-nitrosourea
IUPAC NAME: 3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1-methyl-1-nitrosourea
SYSTEMATIC NAME: 3-[2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1-methyl-1-nitroso-urea
MOLECULAR FORMULA: C12H17N5O6
MOLECULAR WEIGHT: 327.29328
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=O)N(C)N=O
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Product OPENEYE NAME: 1,3-dichloro-5-hexyl-imidazolidine-2,4-dione
CAS Name: 1,3-dichloro-5-hexylimidazolidine-2,4-dione
IUPAC NAME: 1,3-dichloro-5-hexylimidazolidine-2,4-dione
SYSTEMATIC NAME: 1,3-bis(chloranyl)-5-hexyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C9H14Cl2N2O2
MOLECULAR WEIGHT: 253.12566
SMILES: CCCCCCC1C(=O)N(C(=O)N1Cl)Cl
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Product OPENEYE NAME: octan-2-one oxime hydrate
CAS Name: 2-octanone oxime hydrate
IUPAC NAME: (NE)-N-octan-2-ylidenehydroxylamine hydrate
SYSTEMATIC NAME: (NE)-N-octan-2-ylidenehydroxylamine hydrate
MOLECULAR FORMULA: C8H19NO2
MOLECULAR WEIGHT: 161.24196
SMILES: CCCCCC/C(=N/O)/C.O
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Product OPENEYE NAME: phenoxy hypoiodite
CAS Name: hypoiodous acid phenoxy ester
IUPAC NAME: phenoxy hypoiodite
SYSTEMATIC NAME: phenoxy hypoiodite
MOLECULAR FORMULA: C6H5IO2
MOLECULAR WEIGHT: 236.00717
SMILES: C1=CC=C(C=C1)OOI
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Product OPENEYE NAME: pentane-2,4-dione; 2,2,2-trichloroacetic acid
CAS Name: pentane-2,4-dione; 2,2,2-trichloroacetic acid
IUPAC NAME: pentane-2,4-dione; 2,2,2-trichloroacetic acid
SYSTEMATIC NAME: pentane-2,4-dione; 2,2,2-tris(chloranyl)ethanoic acid
MOLECULAR FORMULA: C7H9Cl3O4
MOLECULAR WEIGHT: 263.50296
SMILES: CC(=O)CC(=O)C.C(=O)(C(Cl)(Cl)Cl)O
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Product OPENEYE NAME: lithium; acetic acid; acetone
CAS Name: lithium; acetic acid; 2-propanone
IUPAC NAME: lithium; acetic acid; propan-2-one
SYSTEMATIC NAME: lithium; ethanoic acid; propan-2-one
MOLECULAR FORMULA: C5H10LiO3+
MOLECULAR WEIGHT: 125.0721
SMILES: [Li+].CC(=O)C.CC(=O)O
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Product OPENEYE NAME: 4-methylbenzenesulfonic acid; pentane-2,4-dione
CAS Name: 4-methylbenzenesulfonic acid; pentane-2,4-dione
IUPAC NAME: 4-methylbenzenesulfonic acid; pentane-2,4-dione
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; pentane-2,4-dione
MOLECULAR FORMULA: C12H16O5S
MOLECULAR WEIGHT: 272.31744
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)CC(=O)C
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Product OPENEYE NAME: acetyl bromide; 1-sulfanylethanol
CAS Name: acetyl bromide; 1-mercaptoethanol
IUPAC NAME: acetyl bromide; 1-sulfanylethanol
SYSTEMATIC NAME: ethanoyl bromide; 1-sulfanylethanol
MOLECULAR FORMULA: C8H15Br3O4S
MOLECULAR WEIGHT: 446.9793
SMILES: CC(O)S.CC(=O)Br.CC(=O)Br.CC(=O)Br
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