sodium 3-chloranyl-2-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate

Systemtic Name: sodium 3-chloranyl-2-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate Openeye Name: sodium 3-chloro-2-[4-(2-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate CAS Name: sodium 3-chloro-2-[4-(2-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonate IUPAC Name: sodium 3-chloro-2-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonate Traditional Name: sodium 3-chloro-2-[4-(2-chlorophenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]-5-methyl-besylate Formula: C17H13Cl2N4NaO4S MolecularWeight: 463.27029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H14Cl2N4O4S.Na/c1-9-7-12(19)16(14(8-9)28(25,26)27)23-17(24)15(10(2)22-23)21-20-13-6-4-3-5-11(13)18;/h3-8,15H,1-2H3,(H,25,26,27);/q;+1/p-1