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

Systemtic Name: sodium 3-[(4-azanyl-3-methoxy-phenyl)diazenyl]benzenesulfonate Openeye Name: sodium 3-(4-amino-3-methoxy-phenyl)azobenzenesulfonate CAS Name: sodium 3-(4-amino-3-methoxyphenyl)azobenzenesulfonate IUPAC Name: sodium 3-[(4-amino-3-methoxyphenyl)diazenyl]benzenesulfonate Traditional Name: sodium 3-(4-amino-3-methoxy-phenyl)azobesylate Formula: C13H12N3NaO4S MolecularWeight: 329.30685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C13H13N3O4S.Na/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1