sodium 3-[[4-[[5-methyl-2-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[[4-[[5-methyl-2-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[[4-[5-methyl-2-(p-tolylsulfonyloxy)phenyl]azo-1-naphthyl]azo]benzenesulfonate CAS Name: sodium 3-[[4-[5-methyl-2-(4-methylphenyl)sulfonyloxyphenyl]azo-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 3-[[4-[[5-methyl-2-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[[4-(5-methyl-2-tosyloxy-phenyl)azo-1-naphthyl]azo]besylate Formula: C30H23N4NaO6S2 MolecularWeight: 622.64659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C30H24N4O6S2.Na/c1-20-10-13-23(14-11-20)42(38,39)40-30-17-12-21(2)18-29(30)34-33-28-16-15-27(25-8-3-4-9-26(25)28)32-31-22-6-5-7-24(19-22)41(35,36)37;/h3-19H,1-2H3,(H,35,36,37);/q;+1/p-1