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

Systemtic Name: sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[3-methoxy-4-(4-methoxyphenyl)azo-phenyl]azobenzenesulfonate CAS Name: sodium 3-[3-methoxy-4-(4-methoxyphenyl)azophenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[3-methoxy-4-(4-methoxyphenyl)azo-phenyl]azobesylate Formula: C20H17N4NaO5S MolecularWeight: 448.42755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C20H18N4O5S.Na/c1-28-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)29-2)23-22-15-4-3-5-18(12-15)30(25,26)27;/h3-13H,1-2H3,(H,25,26,27);/q;+1/p-1