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

Systemtic Name: sodium 3-[[3-methoxy-4-[[3-methyl-4-(2-oxidanylbutoxy)phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[4-[4-(2-hydroxybutoxy)-3-methyl-phenyl]azo-3-methoxy-phenyl]azobenzenesulfonate CAS Name: sodium 3-[4-[4-(2-hydroxybutoxy)-3-methylphenyl]azo-3-methoxyphenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[4-[4-(2-hydroxybutoxy)-3-methyl-phenyl]azo-3-methoxy-phenyl]azobesylate Formula: C24H25N4NaO6S MolecularWeight: 520.53327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O6S.Na/c1-4-20(29)15-34-23-11-9-18(12-16(23)2)27-28-22-10-8-19(14-24(22)33-3)26-25-17-6-5-7-21(13-17)35(30,31)32;/h5-14,20,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1