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

Systemtic Name: sodium 3-[[4-[(4-ethoxyphenyl)diazenyl]-3-methoxy-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[4-(4-ethoxyphenyl)azo-3-methoxy-phenyl]azobenzenesulfonate CAS Name: sodium 3-[4-(4-ethoxyphenyl)azo-3-methoxyphenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[4-[(4-ethoxyphenyl)diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-(3-methoxy-4-p-phenetylazo-phenyl)azobesylate Formula: C21H19N4NaO5S MolecularWeight: 462.45413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CCOC1=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/C21H20N4O5S.Na/c1-3-30-18-10-7-15(8-11-18)22-25-20-12-9-17(14-21(20)29-2)24-23-16-5-4-6-19(13-16)31(26,27)28;/h4-14H,3H2,1-2H3,(H,26,27,28);/q;+1/p-1