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MOLECULAR FORMULA: C10H12NO3S+
MOLECULAR WEIGHT: 226.27218
SMILES: C[S+](=O)(C)C(=O)NC(=O)C1=CC=CC=C1
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MOLECULAR FORMULA: C20H17BrO2S
MOLECULAR WEIGHT: 401.31678
SMILES: C1=CC=C(C=C1)C(=O)C[S+](=O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
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Product OPENEYE NAME: bis(3-methoxyphenyl)iodonium chloride
CAS Name: bis(3-methoxyphenyl)iodonium chloride
IUPAC NAME: bis(3-methoxyphenyl)iodanium chloride
SYSTEMATIC NAME: bis(3-methoxyphenyl)iodanium chloride
MOLECULAR FORMULA: C14H14ClIO2
MOLECULAR WEIGHT: 376.61723
SMILES: COC1=CC(=CC=C1)[I+]C2=CC=CC(=C2)OC.[Cl-]
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Product OPENEYE NAME: bis(3-methoxyphenyl)iodonium
CAS Name: bis(3-methoxyphenyl)iodonium
IUPAC NAME: bis(3-methoxyphenyl)iodanium
SYSTEMATIC NAME: bis(3-methoxyphenyl)iodanium
MOLECULAR FORMULA: C14H14IO2+
MOLECULAR WEIGHT: 341.16423
SMILES: COC1=CC(=CC=C1)[I+]C2=CC=CC(=C2)OC
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MOLECULAR FORMULA: C24H10Cl5IO2
MOLECULAR WEIGHT: 634.50447
SMILES: C1=CC2=C(C=C1Cl)C3=CC4=C(C(=C3Cl)C5=C(O2)C=CC(=C5)Cl)[I+]C6=C(O4)C=CC(=C6)Cl.[Cl-]
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MOLECULAR FORMULA: C24H10Cl4IO2+
MOLECULAR WEIGHT: 599.05147
SMILES: C1=CC2=C(C=C1Cl)C3=CC4=C(C(=C3Cl)C5=C(O2)C=CC(=C5)Cl)[I+]C6=C(O4)C=CC(=C6)Cl
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Product OPENEYE NAME: 2-hydroxy-1,2-diphenyl-ethanone; methanesulfonate; methanol
CAS Name: 2-hydroxy-1,2-diphenylethanone; methanesulfonate; methanol
IUPAC NAME: 2-hydroxy-1,2-diphenylethanone; methanesulfonate; methanol
SYSTEMATIC NAME: methanesulfonate; methanol; 2-oxidanyl-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C16H19O6S-
MOLECULAR WEIGHT: 339.38346
SMILES: CO.CS(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
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Product OPENEYE NAME: iodonium 7-phenylbicyclo[4.1.0]hepta-1,3,5-triene dichloride
CAS Name: iodonium 7-phenylbicyclo[4.1.0]hepta-1,3,5-triene dichloride
IUPAC NAME: iodanium 7-phenylbicyclo[4.1.0]hepta-1,3,5-triene dichloride
SYSTEMATIC NAME: iodanium 7-phenylbicyclo[4.1.0]hepta-1,3,5-triene dichloride
MOLECULAR FORMULA: C13H12Cl2I-
MOLECULAR WEIGHT: 366.04485
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C23.[Cl-].[Cl-].[IH2+]
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MOLECULAR FORMULA: C14H16ClNOS
MOLECULAR WEIGHT: 281.80094
SMILES: CN(C)[S+](=O)(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
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MOLECULAR FORMULA: C14H16NOS+
MOLECULAR WEIGHT: 246.34794
SMILES: CN(C)[S+](=O)(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 4-(1,1-dimethylhexyl)benzene-1,3-diol
CAS Name: 4-(2-methylheptan-2-yl)benzene-1,3-diol
IUPAC NAME: 4-(2-methylheptan-2-yl)benzene-1,3-diol
SYSTEMATIC NAME: 4-(2-methylheptan-2-yl)benzene-1,3-diol
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CCCCCC(C)(C)C1=C(C=C(C=C1)O)O
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Product OPENEYE NAME: 2-[ethyl-(2-methylanilino)amino]ethanol; sulfuric acid
CAS Name: 2-[ethyl-(2-methylanilino)amino]ethanol; sulfuric acid
IUPAC NAME: 2-[ethyl-(2-methylanilino)amino]ethanol; sulfuric acid
SYSTEMATIC NAME: 2-[ethyl-[(2-methylphenyl)amino]amino]ethanol; sulfuric acid
MOLECULAR FORMULA: C11H20N2O5S
MOLECULAR WEIGHT: 292.3519
SMILES: CCN(CCO)NC1=CC=CC=C1C.OS(=O)(=O)O
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Product OPENEYE NAME: 2-[ethyl-(2-methylanilino)amino]ethanol
CAS Name: 2-[ethyl-(2-methylanilino)amino]ethanol
IUPAC NAME: 2-[ethyl-(2-methylanilino)amino]ethanol
SYSTEMATIC NAME: 2-[ethyl-[(2-methylphenyl)amino]amino]ethanol
MOLECULAR FORMULA: C11H18N2O
MOLECULAR WEIGHT: 194.27342
SMILES: CCN(CCO)NC1=CC=CC=C1C
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Product OPENEYE NAME: 2,11-dihydroxy-1-phenyl-undecan-1-one
CAS Name: 2,11-dihydroxy-1-phenyl-1-undecanone
IUPAC NAME: 2,11-dihydroxy-1-phenylundecan-1-one
SYSTEMATIC NAME: 2,11-bis(oxidanyl)-1-phenyl-undecan-1-one
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: C1=CC=C(C=C1)C(=O)C(CCCCCCCCCO)O
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Product OPENEYE NAME: 4-(diethylamino)-2-methyl-benzonitrile
CAS Name: 4-(diethylamino)-2-methylbenzonitrile
IUPAC NAME: 4-(diethylamino)-2-methylbenzonitrile
SYSTEMATIC NAME: 4-(diethylamino)-2-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C12H16N2
MOLECULAR WEIGHT: 188.26884
SMILES: CCN(CC)C1=CC(=C(C=C1)C#N)C
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Product OPENEYE NAME: sodium dithiocyanate
CAS Name: sodium dithiocyanate
IUPAC NAME: sodium dithiocyanate
SYSTEMATIC NAME: sodium dithiocyanate
MOLECULAR FORMULA: C2N2NaS2-
MOLECULAR WEIGHT: 139.15457
SMILES: C(#N)[S-].C(#N)[S-].[Na+]
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Product OPENEYE NAME: 2-[(5E)-5-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
CAS Name: 2-[(5E)-5-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
IUPAC NAME: 2-[(5E)-5-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
SYSTEMATIC NAME: 2-[(5E)-5-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
MOLECULAR FORMULA: C14H11ClN2O3S3
MOLECULAR WEIGHT: 386.89674
SMILES: CCN\1C2=C(C=CC(=C2)Cl)S/C1=C/3\C(=O)N(C(=S)S3)CC(=O)O
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Product OPENEYE NAME: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid
CAS Name: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid
IUPAC NAME: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid
MOLECULAR FORMULA: C19H17N3O4S2
MOLECULAR WEIGHT: 415.48598
SMILES: CCN\1C2=CC=CC=C2S/C1=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C
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Product OPENEYE NAME: 4-(3,4-dimethoxyphenyl)azopyrazol-3-one
CAS Name: 4-(3,4-dimethoxyphenyl)azo-3-pyrazolone
IUPAC NAME: 4-[(3,4-dimethoxyphenyl)diazenyl]pyrazol-3-one
SYSTEMATIC NAME: 4-[(3,4-dimethoxyphenyl)diazenyl]pyrazol-3-one
MOLECULAR FORMULA: C11H10N4O3
MOLECULAR WEIGHT: 246.2221
SMILES: COC1=C(C=C(C=C1)N=NC2=CN=NC2=O)OC
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Product OPENEYE NAME: 2,5-dihydroxy-4-(1-methylheptadecyl)benzenesulfonate
CAS Name: 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate
IUPAC NAME: 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate
SYSTEMATIC NAME: 4-octadecan-2-yl-2,5-bis(oxidanyl)benzenesulfonate
MOLECULAR FORMULA: C24H41O5S-
MOLECULAR WEIGHT: 441.64434
SMILES: CCCCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O
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Product OPENEYE NAME: (2Z)-2-[[4-(dimethylamino)phenyl]methylene]-3-oxo-hexanenitrile
CAS Name: (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxohexanenitrile
IUPAC NAME: (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxohexanenitrile
SYSTEMATIC NAME: (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxidanylidene-hexanenitrile
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CCCC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/C#N
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Product OPENEYE NAME: 2-[(2Z)-5-chloro-2-[[5-methoxy-3-(2-sulfoethyl)-1,3-benzothiazol-3-ium-2-yl]methylene]-1,3-benzothiazol-3-yl]ethanesulfonic acid hydroxide
CAS Name: 2-[(2Z)-5-chloro-2-[[5-methoxy-3-(2-sulfoethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid hydroxide
IUPAC NAME: 2-[(2Z)-5-chloro-2-[[5-methoxy-3-(2-sulfoethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid hydroxide
SYSTEMATIC NAME: 2-[(2Z)-5-chloranyl-2-[[5-methoxy-3-(2-sulfoethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]ethanesulfonic acid hydroxide
MOLECULAR FORMULA: C20H21ClN2O8S4
MOLECULAR WEIGHT: 581.10234
SMILES: COC1=CC2=C(C=C1)SC(=[N+]2CCS(=O)(=O)O)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CCS(=O)(=O)O.[OH-]
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