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

Systemtic Name: sodium 3-[[4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methyl-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[4-(4-ethoxyphenyl)azo-5-methoxy-2-methyl-phenyl]azobenzenesulfonate CAS Name: sodium 3-[4-(4-ethoxyphenyl)azo-5-methoxy-2-methylphenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-(5-methoxy-2-methyl-4-p-phenetylazo-phenyl)azobesylate Formula: C22H21N4NaO5S MolecularWeight: 476.48071

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22N4O5S.Na/c1-4-31-18-10-8-16(9-11-18)23-26-21-12-15(2)20(14-22(21)30-3)25-24-17-6-5-7-19(13-17)32(27,28)29;/h5-14H,4H2,1-3H3,(H,27,28,29);/q;+1/p-1