sodium 3-[[5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methyl-phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[[5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methyl-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[5-methoxy-4-(4-methoxyphenyl)azo-2-methyl-phenyl]azobenzenesulfonate CAS Name: sodium 3-[5-methoxy-4-(4-methoxyphenyl)azo-2-methylphenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[5-methoxy-4-(4-methoxyphenyl)azo-2-methyl-phenyl]azobesylate Formula: C21H19N4NaO5S MolecularWeight: 462.45413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC.[Na+]

InChI

InChI=1S/C21H20N4O5S.Na/c1-14-11-20(25-22-15-7-9-17(29-2)10-8-15)21(30-3)13-19(14)24-23-16-5-4-6-18(12-16)31(26,27)28;/h4-13H,1-3H3,(H,26,27,28);/q;+1/p-1