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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])OC)OC.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])OC)OC.[Na+]

InChI

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