sodium 4-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]-3-methyl-benzenesulfonate

Systemtic Name: sodium 4-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]-3-methyl-benzenesulfonate Openeye Name: sodium 4-(4-amino-2,5-dimethyl-phenyl)azo-3-methyl-benzenesulfonate CAS Name: sodium 4-(4-amino-2,5-dimethylphenyl)azo-3-methylbenzenesulfonate IUPAC Name: sodium 4-[(4-amino-2,5-dimethylphenyl)diazenyl]-3-methylbenzenesulfonate Traditional Name: sodium 4-(4-amino-2,5-dimethyl-phenyl)azo-3-methyl-besylate Formula: C15H16N3NaO3S MolecularWeight: 341.36061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)C)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N)C)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H17N3O3S.Na/c1-9-8-15(11(3)7-13(9)16)18-17-14-5-4-12(6-10(14)2)22(19,20)21;/h4-8H,16H2,1-3H3,(H,19,20,21);/q;+1/p-1