2-[[1-(2-chloranyl-6-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[1-(2-chloranyl-6-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 2-[[1-(2-chloro-6-methyl-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]naphthalene-1-sulfonic acid CAS Name: 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-1-naphthalenesulfonic acid IUPAC Name: 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 2-[[1-(2-chloro-6-methyl-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]naphthalene-1-sulfonic acid Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O

InChI

InChI=1S/C21H17ClN4O4S/c1-12-6-5-9-16(22)19(12)26-21(27)18(13(2)25-26)24-23-17-11-10-14-7-3-4-8-15(14)20(17)31(28,29)30/h3-11,18H,1-2H3,(H,28,29,30)