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

Systemtic Name: sodium 3-[[2-acetamido-4-[[4-(2-oxidanylbutoxy)phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[2-acetamido-4-[4-(2-hydroxybutoxy)phenyl]azo-phenyl]azobenzenesulfonate CAS Name: sodium 3-[2-acetamido-4-[4-(2-hydroxybutoxy)phenyl]azophenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[2-acetamido-4-[[4-(2-hydroxybutoxy)phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[2-acetamido-4-[4-(2-hydroxybutoxy)phenyl]azo-phenyl]azobesylate Formula: C24H24N5NaO6S MolecularWeight: 533.53203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])NC(=O)C)O.[Na+]

Isomeric SMILES

CCC(COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])NC(=O)C)O.[Na+]

InChI

InChI=1S/C24H25N5O6S.Na/c1-3-20(31)15-35-21-10-7-17(8-11-21)26-27-19-9-12-23(24(14-19)25-16(2)30)29-28-18-5-4-6-22(13-18)36(32,33)34;/h4-14,20,31H,3,15H2,1-2H3,(H,25,30)(H,32,33,34);/q;+1/p-1