sodium 3-[[2-acetamido-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[[2-acetamido-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[2-acetamido-4-(4-methoxyphenyl)azo-phenyl]azobenzenesulfonate CAS Name: sodium 3-[2-acetamido-4-(4-methoxyphenyl)azophenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[2-acetamido-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[2-acetamido-4-(4-methoxyphenyl)azo-phenyl]azobesylate Formula: C21H18N5NaO5S MolecularWeight: 475.45289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)OC)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)OC)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H19N5O5S.Na/c1-14(27)22-21-13-17(24-23-15-6-9-18(31-2)10-7-15)8-11-20(21)26-25-16-4-3-5-19(12-16)32(28,29)30;/h3-13H,1-2H3,(H,22,27)(H,28,29,30);/q;+1/p-1