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

Systemtic Name: sodium 3-[[4-[(2-ethoxy-5-methyl-phenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[[4-(2-ethoxy-5-methyl-phenyl)azo-1-naphthyl]azo]benzenesulfonate CAS Name: sodium 3-[[4-(2-ethoxy-5-methylphenyl)azo-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 3-[[4-[(2-ethoxy-5-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[[4-(2-ethoxy-5-methyl-phenyl)azo-1-naphthyl]azo]besylate Formula: C25H21N4NaO4S MolecularWeight: 496.51341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H22N4O4S.Na/c1-3-33-25-14-11-17(2)15-24(25)29-28-23-13-12-22(20-9-4-5-10-21(20)23)27-26-18-7-6-8-19(16-18)34(30,31)32;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1