sodium 3-[(4-azanyl-3-methyl-phenyl)diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[(4-azanyl-3-methyl-phenyl)diazenyl]benzenesulfonate Openeye Name: sodium 3-(4-amino-3-methyl-phenyl)azobenzenesulfonate CAS Name: sodium 3-(4-amino-3-methylphenyl)azobenzenesulfonate IUPAC Name: sodium 3-[(4-amino-3-methylphenyl)diazenyl]benzenesulfonate Traditional Name: sodium 3-(4-amino-3-methyl-phenyl)azobesylate Formula: C13H12N3NaO3S MolecularWeight: 313.30745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C13H13N3O3S.Na/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1