Product OPENEYE NAME: 1-chloro-2-methyl-anthracene-9,10-dione
CAS Name: 1-chloro-2-methylanthracene-9,10-dione
IUPAC NAME: 1-chloro-2-methylanthracene-9,10-dione
SYSTEMATIC NAME: 1-chloranyl-2-methyl-anthracene-9,10-dione
MOLECULAR FORMULA: C15H9ClO2
MOLECULAR WEIGHT: 256.68376
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl
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Product OPENEYE NAME: 1-chloro-5-nitro-anthracene-9,10-dione
CAS Name: 1-chloro-5-nitroanthracene-9,10-dione
IUPAC NAME: 1-chloro-5-nitroanthracene-9,10-dione
SYSTEMATIC NAME: 1-chloranyl-5-nitro-anthracene-9,10-dione
MOLECULAR FORMULA: C14H6ClNO4
MOLECULAR WEIGHT: 287.65474
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)Cl
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Product OPENEYE NAME: 1,8-diaminoanthracene-9,10-dione
CAS Name: 1,8-diaminoanthracene-9,10-dione
IUPAC NAME: 1,8-diaminoanthracene-9,10-dione
SYSTEMATIC NAME: 1,8-bis(azanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C=CC=C3N
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Product OPENEYE NAME: 1-hydroxyanthracene-9,10-dione
CAS Name: 1-hydroxyanthracene-9,10-dione
IUPAC NAME: 1-hydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1-oxidanylanthracene-9,10-dione
MOLECULAR FORMULA: C14H8O3
MOLECULAR WEIGHT: 224.21152
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O
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Product OPENEYE NAME: 1,5-diaminoanthracene-9,10-dione
CAS Name: 1,5-diaminoanthracene-9,10-dione
IUPAC NAME: 1,5-diaminoanthracene-9,10-dione
SYSTEMATIC NAME: 1,5-bis(azanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N
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Product OPENEYE NAME: hexasodium 8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
CAS Name: hexasodium 8-[[[4-methyl-3-[[[3-[[[3-[[2-methyl-5-[oxo-[(4,6,8-trisulfonato-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonate
IUPAC NAME: hexasodium 8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
SYSTEMATIC NAME: hexasodium 8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonate
MOLECULAR FORMULA: C51H34N6Na6O23S6
MOLECULAR WEIGHT: 1429.17068
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H8N2O
MOLECULAR WEIGHT: 220.22612
SMILES: C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O
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Product OPENEYE NAME: 2,4,6-trinitrobenzoic acid
CAS Name: 2,4,6-trinitrobenzoic acid
IUPAC NAME: 2,4,6-trinitrobenzoic acid
SYSTEMATIC NAME: 2,4,6-trinitrobenzoic acid
MOLECULAR FORMULA: C7H3N3O8
MOLECULAR WEIGHT: 257.11402
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: disodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CAS Name: disodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
IUPAC NAME: disodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SYSTEMATIC NAME: disodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
MOLECULAR FORMULA: C8H8Na2O5
MOLECULAR WEIGHT: 230.12566
SMILES: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: (1-ethyl-3-piperidyl) 2,2-diphenylacetate hydrochloride
CAS Name: 2,2-diphenylacetic acid (1-ethyl-3-piperidinyl) ester hydrochloride
IUPAC NAME: (1-ethylpiperidin-3-yl) 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: (1-ethylpiperidin-3-yl) 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C21H26ClNO2
MOLECULAR WEIGHT: 359.88964
SMILES: CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
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Product OPENEYE NAME: 2,4,7-trinitrofluoren-9-one
CAS Name: 2,4,7-trinitro-9-fluorenone
IUPAC NAME: 2,4,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 2,4,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C13H5N3O7
MOLECULAR WEIGHT: 315.1947
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=CC(=C23)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-iodo-1,5-dimethyl-2-phenyl-pyrazol-3-one
CAS Name: 4-iodo-1,5-dimethyl-2-phenyl-3-pyrazolone
IUPAC NAME: 4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4-iodanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C11H11IN2O
MOLECULAR WEIGHT: 314.12231
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)I
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Product OPENEYE NAME: N-[1-methyl-2-(1-piperidyl)ethyl]-N-phenyl-propanamide
CAS Name: N-phenyl-N-[1-(1-piperidinyl)propan-2-yl]propanamide
IUPAC NAME: N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SYSTEMATIC NAME: N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
MOLECULAR FORMULA: C17H26N2O
MOLECULAR WEIGHT: 274.40114
SMILES: CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCCCC2
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Product OPENEYE NAME: calcium; 1,3-dimethyl-4H-purine-2,6-dione; 2-hydroxybenzoate
CAS Name: calcium; 1,3-dimethyl-4H-purine-2,6-dione; 2-hydroxybenzoate
IUPAC NAME: calcium; 1,3-dimethyl-4H-purine-2,6-dione; 2-hydroxybenzoate
SYSTEMATIC NAME: calcium; 1,3-dimethyl-4H-purine-2,6-dione; 2-oxidanylbenzoate
MOLECULAR FORMULA: C14H13CaN4O5+
MOLECULAR WEIGHT: 357.35482
SMILES: CN1C2C(=NC=N2)C(=O)N(C1=O)C.C1=CC=C(C(=C1)C(=O)[O-])O.[Ca+2]
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Product OPENEYE NAME: 1,3-dimethyl-4H-purine-2,6-dione
CAS Name: 1,3-dimethyl-4H-purine-2,6-dione
IUPAC NAME: 1,3-dimethyl-4H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-4H-purine-2,6-dione
MOLECULAR FORMULA: C7H8N4O2
MOLECULAR WEIGHT: 180.16402
SMILES: CN1C2C(=NC=N2)C(=O)N(C1=O)C
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Product OPENEYE NAME: [3-(3-carboxypropanoylcarbamoylamino)-2-methoxy-propyl]mercury
CAS Name: [3-[[[(3-carboxy-1-oxopropyl)amino]-oxomethyl]amino]-2-methoxypropyl]mercury
IUPAC NAME: [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury
SYSTEMATIC NAME: [2-methoxy-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)carbamoylamino]propyl]mercury
MOLECULAR FORMULA: C9H15HgN2O5
MOLECULAR WEIGHT: 431.8158
SMILES: COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg]
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Product OPENEYE NAME: naphthalene-1,4-dione
CAS Name: naphthalene-1,4-dione
IUPAC NAME: naphthalene-1,4-dione
SYSTEMATIC NAME: naphthalene-1,4-dione
MOLECULAR FORMULA: C10H6O2
MOLECULAR WEIGHT: 158.15344
SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1
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Product OPENEYE NAME: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
CAS Name: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
IUPAC NAME: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
SYSTEMATIC NAME: 2-(3-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
MOLECULAR FORMULA: C14H12N2O3S2
MOLECULAR WEIGHT: 320.38668
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=CC=C3)N)S(=O)(=O)O
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MOLECULAR FORMULA: C28H12Cl2N2O4
MOLECULAR WEIGHT: 511.31188
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)NC5=C(C=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)Cl)Cl
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Product OPENEYE NAME: 3,4-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid
CAS Name: 3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid
IUPAC NAME: 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
SYSTEMATIC NAME: 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
MOLECULAR FORMULA: C14H8O7S
MOLECULAR WEIGHT: 320.27412
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)O
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Product OPENEYE NAME: 2-methyl-1,4-dioxo-tetralin-2-sulfonic acid
CAS Name: 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid
IUPAC NAME: 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C11H10O5S
MOLECULAR WEIGHT: 254.2591
SMILES: CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O
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Product OPENEYE NAME: sodium 2-cyclohexyl-4,6-dinitro-phenolate
CAS Name: sodium 2-cyclohexyl-4,6-dinitrophenolate
IUPAC NAME: sodium 2-cyclohexyl-4,6-dinitrophenolate
SYSTEMATIC NAME: sodium 2-cyclohexyl-4,6-dinitro-phenolate
MOLECULAR FORMULA: C12H13N2NaO5
MOLECULAR WEIGHT: 288.23179
SMILES: C1CCC(CC1)C2=CC(=CC(=C2[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]
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