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

Systemtic Name: sodium 4-[(4-azanyl-2,5-dimethyl-phenyl)diazenyl]benzenesulfonate Openeye Name: sodium 4-(4-amino-2,5-dimethyl-phenyl)azobenzenesulfonate CAS Name: sodium 4-(4-amino-2,5-dimethylphenyl)azobenzenesulfonate IUPAC Name: sodium 4-[(4-amino-2,5-dimethylphenyl)diazenyl]benzenesulfonate Traditional Name: sodium 4-(4-amino-2,5-dimethyl-phenyl)azobesylate Formula: C14H14N3NaO3S MolecularWeight: 327.33403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S.Na/c1-9-8-14(10(2)7-13(9)15)17-16-11-3-5-12(6-4-11)21(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);/q;+1/p-1