2,5-bis(chloranyl)-4-[3-methyl-4-[(2-methyl-4-sulfo-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)-4-[3-methyl-4-[(2-methyl-4-sulfo-phenyl)diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[3-methyl-4-(2-methyl-4-sulfo-phenyl)azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[3-methyl-4-(2-methyl-4-sulfophenyl)azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[3-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[5-keto-3-methyl-4-(2-methyl-4-sulfo-phenyl)azo-2-pyrazolin-1-yl]besylic acid Formula: C17H14Cl2N4O7S2 MolecularWeight: 521.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C

InChI

InChI=1S/C17H14Cl2N4O7S2/c1-8-5-10(31(25,26)27)3-4-13(8)20-21-16-9(2)22-23(17(16)24)14-6-12(19)15(7-11(14)18)32(28,29)30/h3-7,16H,1-2H3,(H,25,26,27)(H,28,29,30)