Product OPENEYE NAME: 2,2,3-trimethylheptanedioate
CAS Name: 2,2,3-trimethylheptanedioate
IUPAC NAME: 2,2,3-trimethylheptanedioate
SYSTEMATIC NAME: 2,2,3-trimethylheptanedioate
MOLECULAR FORMULA: C10H16O4-2
MOLECULAR WEIGHT: 200.23164
SMILES: CC(CCCC(=O)[O-])C(C)(C)C(=O)[O-]
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Product OPENEYE NAME: 2,2,3-trimethylheptanedioic acid
CAS Name: 2,2,3-trimethylheptanedioic acid
IUPAC NAME: 2,2,3-trimethylheptanedioic acid
SYSTEMATIC NAME: 2,2,3-trimethylheptanedioic acid
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CC(CCCC(=O)O)C(C)(C)C(=O)O
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Product OPENEYE NAME: hypochlorite phosphate
CAS Name: hypochlorite phosphate
IUPAC NAME: hypochlorite phosphate
SYSTEMATIC NAME: hypochlorite phosphate
MOLECULAR FORMULA: ClO5P-4
MOLECULAR WEIGHT: 146.423761
SMILES: [O-]P(=O)([O-])[O-].[O-]Cl
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Product OPENEYE NAME: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid
CAS Name: 1-heptyl-4-(1-heptyl-4-pyridin-1-iumyl)pyridin-1-ium; hydrogen phosphate; phosphenous acid
IUPAC NAME: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid
SYSTEMATIC NAME: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid
MOLECULAR FORMULA: C24H40N2O6P2
MOLECULAR WEIGHT: 514.531722
SMILES: CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.OP=O.OP(=O)([O-])[O-]
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Product OPENEYE NAME: N'-propyldocosanehydrazide
CAS Name: N'-propyldocosanehydrazide
IUPAC NAME: N'-propyldocosanehydrazide
SYSTEMATIC NAME: N'-propyldocosanehydrazide
MOLECULAR FORMULA: C25H52N2O
MOLECULAR WEIGHT: 396.69318
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NNCCC
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Product OPENEYE NAME: 1-docosyl-1-ethyl-hydrazine
CAS Name: 1-docosyl-1-ethylhydrazine
IUPAC NAME: 1-docosyl-1-ethylhydrazine
SYSTEMATIC NAME: 1-docosyl-1-ethyl-diazane
MOLECULAR FORMULA: C24H52N2
MOLECULAR WEIGHT: 368.68308
SMILES: CCCCCCCCCCCCCCCCCCCCCCN(CC)N
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Product OPENEYE NAME: [1-butyl-1-[3-(octadecanoylamino)-2-propyl-phenyl]pentyl]ammonium chloride
CAS Name: 5-[3-(1-oxooctadecylamino)-2-propylphenyl]nonan-5-ylammonium chloride
IUPAC NAME: 5-[3-(octadecanoylamino)-2-propylphenyl]nonan-5-ylazanium chloride
SYSTEMATIC NAME: 5-[3-(octadecanoylamino)-2-propyl-phenyl]nonan-5-ylazanium chloride
MOLECULAR FORMULA: C36H67ClN2O
MOLECULAR WEIGHT: 579.38298
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1CCC)C(CCCC)(CCCC)[NH3+].[Cl-]
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Product OPENEYE NAME: N-[3-(1-amino-1-butyl-pentyl)-2-propyl-phenyl]octadecanamide
CAS Name: N-[3-(5-aminononan-5-yl)-2-propylphenyl]octadecanamide
IUPAC NAME: N-[3-(5-aminononan-5-yl)-2-propylphenyl]octadecanamide
SYSTEMATIC NAME: N-[3-(5-azanylnonan-5-yl)-2-propyl-phenyl]octadecanamide
MOLECULAR FORMULA: C36H66N2O
MOLECULAR WEIGHT: 542.92204
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1CCC)C(CCCC)(CCCC)N
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-1-cyano-3,3-dimethyl-urea
CAS Name: 1-(3-chloro-4-methylphenyl)-1-cyano-3,3-dimethylurea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-1-cyano-3,3-dimethylurea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-1-cyano-3,3-dimethyl-urea
MOLECULAR FORMULA: C11H12ClN3O
MOLECULAR WEIGHT: 237.68548
SMILES: CC1=C(C=C(C=C1)N(C#N)C(=O)N(C)C)Cl
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Product OPENEYE NAME: 2-(thiadiazin-2-yl)benzamide
CAS Name: 2-(2-thiadiazinyl)benzamide
IUPAC NAME: 2-(thiadiazin-2-yl)benzamide
SYSTEMATIC NAME: 2-(1,2,3-thiadiazin-2-yl)benzamide
MOLECULAR FORMULA: C10H9N3OS
MOLECULAR WEIGHT: 219.26296
SMILES: C1=CC=C(C(=C1)C(=O)N)N2N=CC=CS2
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Product OPENEYE NAME: ammonia; 3-[2-(4,6-dimethyl-2-thioxo-1,3,5-thiadiazinan-3-yl)ethyl]-4,6-dimethyl-1,3,5-thiadiazinane-2-thione
CAS Name: ammonia; 3-[2-(4,6-dimethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethyl]-4,6-dimethyl-1,3,5-thiadiazinane-2-thione
IUPAC NAME: azane; 3-[2-(4,6-dimethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethyl]-4,6-dimethyl-1,3,5-thiadiazinane-2-thione
SYSTEMATIC NAME: azane; 3-[2-(4,6-dimethyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethyl]-4,6-dimethyl-1,3,5-thiadiazinane-2-thione
MOLECULAR FORMULA: C12H25N5S4
MOLECULAR WEIGHT: 367.6204
SMILES: CC1NC(SC(=S)N1CCN2C(NC(SC2=S)C)C)C.N
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Product OPENEYE NAME: ammonium magnesium phosphate tetrahydrate
CAS Name: ammonium magnesium phosphate tetrahydrate
IUPAC NAME: azanium magnesium phosphate tetrahydrate
SYSTEMATIC NAME: azanium magnesium phosphate tetrahydrate
MOLECULAR FORMULA: H12MgNO8P
MOLECULAR WEIGHT: 209.375941
SMILES: [NH4+].O.O.O.O.[O-]P(=O)([O-])[O-].[Mg+2]
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Product OPENEYE NAME: aluminum tricalcium hydrate
CAS Name: aluminum tricalcium hydrate
IUPAC NAME: aluminum tricalcium hydrate
SYSTEMATIC NAME: aluminum tricalcium hydrate
MOLECULAR FORMULA: AlCa3H2O+9
MOLECULAR WEIGHT: 165.230818
SMILES: O.[Al+3].[Ca+2].[Ca+2].[Ca+2]
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Product OPENEYE NAME: 1-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]prop-2-en-1-one
CAS Name: 1-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-2-propen-1-one
IUPAC NAME: 1-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]prop-2-en-1-one
SYSTEMATIC NAME: 1-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]prop-2-en-1-one
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: CCC1(COC(OC1)C(=O)C=C)CO
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Product OPENEYE NAME: 1-(5-ethyl-1,3-dioxan-2-yl)-2-(hydroxymethyl)prop-2-en-1-one
CAS Name: 1-(5-ethyl-1,3-dioxan-2-yl)-2-(hydroxymethyl)-2-propen-1-one
IUPAC NAME: 1-(5-ethyl-1,3-dioxan-2-yl)-2-(hydroxymethyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(5-ethyl-1,3-dioxan-2-yl)-2-(hydroxymethyl)prop-2-en-1-one
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: CCC1COC(OC1)C(=O)C(=C)CO
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Product OPENEYE NAME: disodium 7-[[2-(carboxylatomethyl)benzoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: disodium 7-[[[2-(carboxylatomethyl)phenyl]-oxomethyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: disodium 7-[[2-(carboxylatomethyl)benzoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: disodium 3-(hydroxymethyl)-7-[[2-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H14N2Na2O7S
MOLECULAR WEIGHT: 436.3468
SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3CC(=O)[O-])C(=O)[O-])CO.[Na+].[Na+]
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Product OPENEYE NAME: 7-[[2-(carboxymethyl)benzoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[[2-(carboxymethyl)phenyl]-oxomethyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(carboxymethyl)benzoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(hydroxymethyl)-7-[[2-(2-hydroxy-2-oxoethyl)phenyl]carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H16N2O7S
MOLECULAR WEIGHT: 392.38314
SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3CC(=O)O)C(=O)O)CO
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Product OPENEYE NAME: 3-(hydroxymethyl)-7-[(4-methylbenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-(hydroxymethyl)-7-[[(4-methylphenyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-(hydroxymethyl)-7-[(4-methylbenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-(hydroxymethyl)-7-[(4-methylphenyl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C16H15N2O5S-
MOLECULAR WEIGHT: 347.3657
SMILES: CC1=CC=C(C=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)CO)C(=O)[O-]
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Product OPENEYE NAME: benzhydryl 7-[[4-(aminomethyl)benzoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[4-(aminomethyl)benzoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[4-(aminomethyl)phenyl]carbonylamino]-3-(hydroxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C29H27N3O5S
MOLECULAR WEIGHT: 529.60678
SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C3=CC=C(C=C3)CN)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CO
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Product OPENEYE NAME: 11-methyldodecylammonium
CAS Name: 11-methyldodecylammonium
IUPAC NAME: 11-methyldodecylazanium
SYSTEMATIC NAME: 11-methyldodecylazanium
MOLECULAR FORMULA: C13H30N+
MOLECULAR WEIGHT: 200.384
SMILES: CC(C)CCCCCCCCCC[NH3+]
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Product OPENEYE NAME: zinc 2-hydroxy-3-methyl-butanoate
CAS Name: zinc 2-hydroxy-3-methylbutanoate
IUPAC NAME: zinc 2-hydroxy-3-methylbutanoate
SYSTEMATIC NAME: zinc 3-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C10H18O6Zn
MOLECULAR WEIGHT: 299.65532
SMILES: CC(C)C(C(=O)[O-])O.CC(C)C(C(=O)[O-])O.[Zn+2]
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Product OPENEYE NAME: 2-hydroxy-3,3-dimethyl-butanoate
CAS Name: 2-hydroxy-3,3-dimethylbutanoate
IUPAC NAME: 2-hydroxy-3,3-dimethylbutanoate
SYSTEMATIC NAME: 3,3-dimethyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C6H11O3-
MOLECULAR WEIGHT: 131.14974
SMILES: CC(C)(C)C(C(=O)[O-])O
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Product OPENEYE NAME: 2-[(1-carboxy-2,2-dimethyl-propoxy)-sulfanyl-phosphinothioyl]oxy-3,3-dimethyl-butanoic acid
CAS Name: 2-[(1-carboxy-2,2-dimethylpropoxy)-mercaptophosphinothioyl]oxy-3,3-dimethylbutanoic acid
IUPAC NAME: 2-[(1-carboxy-2,2-dimethylpropoxy)-sulfanylphosphinothioyl]oxy-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 2-[(3,3-dimethyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-sulfanyl-phosphinothioyl]oxy-3,3-dimethyl-butanoic acid
MOLECULAR FORMULA: C12H23O6PS2
MOLECULAR WEIGHT: 358.411181
SMILES: CC(C)(C)C(C(=O)O)OP(=S)(OC(C(=O)O)C(C)(C)C)S
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Product OPENEYE NAME: zinc 2-hydroxyhexanoate
CAS Name: zinc 2-hydroxyhexanoate
IUPAC NAME: zinc 2-hydroxyhexanoate
SYSTEMATIC NAME: zinc 2-oxidanylhexanoate
MOLECULAR FORMULA: C12H22O6Zn
MOLECULAR WEIGHT: 327.70848
SMILES: CCCCC(C(=O)[O-])O.CCCCC(C(=O)[O-])O.[Zn+2]
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