Product OPENEYE NAME: 2-[4-[(E)-(2-hydroxycycloheptylidene)methyl]phenyl]propanoic acid
CAS Name: 2-[4-[(E)-(2-hydroxycycloheptylidene)methyl]phenyl]propanoic acid
IUPAC NAME: 2-[4-[(E)-(2-hydroxycycloheptylidene)methyl]phenyl]propanoic acid
SYSTEMATIC NAME: 2-[4-[(E)-(2-oxidanylcycloheptylidene)methyl]phenyl]propanoic acid
MOLECULAR FORMULA: C17H22O3
MOLECULAR WEIGHT: 274.35478
SMILES: CC(C1=CC=C(C=C1)/C=C/2\CCCCCC2O)C(=O)O
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Product OPENEYE NAME: trialuminum triferrous tripotassium phosphate
CAS Name: trialuminum tripotassium iron(2+) phosphate
IUPAC NAME: trialuminum tripotassium iron(2+) phosphate
SYSTEMATIC NAME: trialuminum tripotassium iron(2+) phosphate
MOLECULAR FORMULA: Al3Fe3K3O4P+15
MOLECULAR WEIGHT: 460.745875
SMILES: [O-]P(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[K+].[K+].[K+].[Fe+2].[Fe+2].[Fe+2]
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Product OPENEYE NAME: ferrous; hydrogen phosphate; urea
CAS Name: hydrogen phosphate; iron(2+); urea
IUPAC NAME: hydrogen phosphate; iron(2+); urea
SYSTEMATIC NAME: hydrogen phosphate; iron(2+); urea
MOLECULAR FORMULA: CH5FeN2O5P
MOLECULAR WEIGHT: 211.879561
SMILES: C(=O)(N)N.OP(=O)([O-])[O-].[Fe+2]
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Product OPENEYE NAME: difluoromethane; methane
CAS Name: difluoromethane; methane
IUPAC NAME: difluoromethane; methane
SYSTEMATIC NAME: bis(fluoranyl)methane; methane
MOLECULAR FORMULA: C3H10F2
MOLECULAR WEIGHT: 84.108306
SMILES: C.C.C(F)F
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Product OPENEYE NAME: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate
CAS Name: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate
IUPAC NAME: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate
SYSTEMATIC NAME: zinc 2-(1-phenylethoxy)-3-(1-phenylethyl)benzoate
MOLECULAR FORMULA: C46H42O6Zn
MOLECULAR WEIGHT: 756.23108
SMILES: CC(C1=CC=CC=C1)C2=CC=CC(=C2OC(C)C3=CC=CC=C3)C(=O)[O-].CC(C1=CC=CC=C1)C2=CC=CC(=C2OC(C)C3=CC=CC=C3)C(=O)[O-].[Zn+2]
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Product OPENEYE NAME: ammonium; acetone; prop-2-enenitrile; hydroxide
CAS Name: ammonium; 2-propanone; 2-propenenitrile; hydroxide
IUPAC NAME: azanium; propan-2-one; prop-2-enenitrile; hydroxide
SYSTEMATIC NAME: azanium; propan-2-one; prop-2-enenitrile; hydroxide
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: CC(=O)C.C=CC#N.[NH4+].[OH-]
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Product OPENEYE NAME: benzene; 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenyl-ethane-1,2-dione
CAS Name: benzene; 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylethane-1,2-dione
IUPAC NAME: benzene; 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylethane-1,2-dione
SYSTEMATIC NAME: benzene; 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenyl-ethane-1,2-dione
MOLECULAR FORMULA: C28H32O3
MOLECULAR WEIGHT: 416.55188
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.C1=CC=CC=C1
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Product OPENEYE NAME: N-[3-(isobutylamino)-4-(1-methoxyethoxy)phenyl]acetamide
CAS Name: N-[4-(1-methoxyethoxy)-3-(2-methylpropylamino)phenyl]acetamide
IUPAC NAME: N-[4-(1-methoxyethoxy)-3-(2-methylpropylamino)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(1-methoxyethoxy)-3-(2-methylpropylamino)phenyl]ethanamide
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CC(C)CNC1=C(C=CC(=C1)NC(=O)C)OC(C)OC
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Product OPENEYE NAME: 1,3-diethyl-5-(1-phenylethyl)benzene
CAS Name: 1,3-diethyl-5-(1-phenylethyl)benzene
IUPAC NAME: 1,3-diethyl-5-(1-phenylethyl)benzene
SYSTEMATIC NAME: 1,3-diethyl-5-(1-phenylethyl)benzene
MOLECULAR FORMULA: C18H22
MOLECULAR WEIGHT: 238.36728
SMILES: CCC1=CC(=CC(=C1)C(C)C2=CC=CC=C2)CC
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Product OPENEYE NAME: 1,2-diethyl-4-(1-phenylethyl)benzene
CAS Name: 1,2-diethyl-4-(1-phenylethyl)benzene
IUPAC NAME: 1,2-diethyl-4-(1-phenylethyl)benzene
SYSTEMATIC NAME: 1,2-diethyl-4-(1-phenylethyl)benzene
MOLECULAR FORMULA: C18H22
MOLECULAR WEIGHT: 238.36728
SMILES: CCC1=C(C=C(C=C1)C(C)C2=CC=CC=C2)CC
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Product OPENEYE NAME: 1-ethyl-3-[(4-ethylphenyl)methyl]benzene
CAS Name: 1-ethyl-3-[(4-ethylphenyl)methyl]benzene
IUPAC NAME: 1-ethyl-3-[(4-ethylphenyl)methyl]benzene
SYSTEMATIC NAME: 1-ethyl-3-[(4-ethylphenyl)methyl]benzene
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: CCC1=CC=C(C=C1)CC2=CC(=CC=C2)CC
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Product OPENEYE NAME: 1,3-diethyl-5-(o-tolyl)benzene
CAS Name: 1,3-diethyl-5-(2-methylphenyl)benzene
IUPAC NAME: 1,3-diethyl-5-(2-methylphenyl)benzene
SYSTEMATIC NAME: 1,3-diethyl-5-(2-methylphenyl)benzene
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: CCC1=CC(=CC(=C1)C2=CC=CC=C2C)CC
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Product OPENEYE NAME: 4-benzyl-1,2-diethyl-benzene
CAS Name: 1,2-diethyl-4-(phenylmethyl)benzene
IUPAC NAME: 4-benzyl-1,2-diethylbenzene
SYSTEMATIC NAME: 1,2-diethyl-4-(phenylmethyl)benzene
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: CCC1=C(C=C(C=C1)CC2=CC=CC=C2)CC
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Product OPENEYE NAME: ethoxyethane; formamide
CAS Name: ethoxyethane; formamide
IUPAC NAME: ethoxyethane; formamide
SYSTEMATIC NAME: ethoxyethane; methanamide
MOLECULAR FORMULA: C5H13NO2
MOLECULAR WEIGHT: 119.16222
SMILES: CCOCC.C(=O)N
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Product OPENEYE NAME: 2-[2-phenoxy-4-(trifluoromethyl)phenoxy]propanoic acid
CAS Name: 2-[2-phenoxy-4-(trifluoromethyl)phenoxy]propanoic acid
IUPAC NAME: 2-[2-phenoxy-4-(trifluoromethyl)phenoxy]propanoic acid
SYSTEMATIC NAME: 2-[2-phenoxy-4-(trifluoromethyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C16H13F3O4
MOLECULAR WEIGHT: 326.26723
SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)C(F)(F)F)OC2=CC=CC=C2
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Product OPENEYE NAME: methyl 2-methyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
CAS Name: 2-methyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylic acid methyl ester
IUPAC NAME: methyl 2-methyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
SYSTEMATIC NAME: methyl 2-methyl-4-oxidanylidene-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1CC(=O)C(=C(O1)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: 3-oxo-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CAS Name: 3-oxo-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid
IUPAC NAME: 3-oxo-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid
MOLECULAR FORMULA: C16H11F3O4
MOLECULAR WEIGHT: 324.25135
SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)CC(=O)O)C(F)(F)F
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Product OPENEYE NAME: 3-[4-(4-chlorophenoxy)phenyl]-3-oxo-propanoic acid
CAS Name: 3-[4-(4-chlorophenoxy)phenyl]-3-oxopropanoic acid
IUPAC NAME: 3-[4-(4-chlorophenoxy)phenyl]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[4-(4-chloranylphenoxy)phenyl]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C15H11ClO4
MOLECULAR WEIGHT: 290.69844
SMILES: C1=CC(=CC=C1C(=O)CC(=O)O)OC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: ethyl 6-[4-(4-chlorophenoxy)phenyl]-2,3-dimethyl-4-oxo-2,3-dihydropyran-5-carboxylate
CAS Name: 6-[4-(4-chlorophenoxy)phenyl]-2,3-dimethyl-4-oxo-2,3-dihydropyran-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[4-(4-chlorophenoxy)phenyl]-2,3-dimethyl-4-oxo-2,3-dihydropyran-5-carboxylate
SYSTEMATIC NAME: ethyl 6-[4-(4-chloranylphenoxy)phenyl]-2,3-dimethyl-4-oxidanylidene-2,3-dihydropyran-5-carboxylate
MOLECULAR FORMULA: C22H21ClO5
MOLECULAR WEIGHT: 400.85214
SMILES: CCOC(=O)C1=C(OC(C(C1=O)C)C)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 6-phenyl-2,3-dihydropyran-4-one
CAS Name: 6-phenyl-2,3-dihydropyran-4-one
IUPAC NAME: 6-phenyl-2,3-dihydropyran-4-one
SYSTEMATIC NAME: 6-phenyl-2,3-dihydropyran-4-one
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: C1COC(=CC1=O)C2=CC=CC=C2
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Product OPENEYE NAME: methyl 3-methyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
CAS Name: 3-methyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylic acid methyl ester
IUPAC NAME: methyl 3-methyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
SYSTEMATIC NAME: methyl 3-methyl-4-oxidanylidene-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1COC(=C(C1=O)C(=O)OC)C2=CC=C(C=C2)OC3=CC=CC=C3
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Product OPENEYE NAME: 3-[4-(3-chlorophenoxy)phenyl]-3-oxo-propanoic acid
CAS Name: 3-[4-(3-chlorophenoxy)phenyl]-3-oxopropanoic acid
IUPAC NAME: 3-[4-(3-chlorophenoxy)phenyl]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[4-(3-chloranylphenoxy)phenyl]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C15H11ClO4
MOLECULAR WEIGHT: 290.69844
SMILES: C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)C(=O)CC(=O)O
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Product OPENEYE NAME: methyl 2,3-dimethyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
CAS Name: 2,3-dimethyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylic acid methyl ester
IUPAC NAME: methyl 2,3-dimethyl-4-oxo-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
SYSTEMATIC NAME: methyl 2,3-dimethyl-4-oxidanylidene-6-(4-phenoxyphenyl)-2,3-dihydropyran-5-carboxylate
MOLECULAR FORMULA: C21H20O5
MOLECULAR WEIGHT: 352.3805
SMILES: CC1C(OC(=C(C1=O)C(=O)OC)C2=CC=C(C=C2)OC3=CC=CC=C3)C
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Product OPENEYE NAME: 2-tetrahydrofuran-2-ylbenzenesulfonamide
CAS Name: 2-(2-oxolanyl)benzenesulfonamide
IUPAC NAME: 2-(oxolan-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 2-(oxolan-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C10H13NO3S
MOLECULAR WEIGHT: 227.28012
SMILES: C1CC(OC1)C2=CC=CC=C2S(=O)(=O)N
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