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

Systemtic Name: sodium 3-[[3-[(4-ethoxy-3-methyl-phenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[[3-(4-ethoxy-3-methyl-phenyl)azo-1-naphthyl]azo]benzenesulfonate CAS Name: sodium 3-[[3-(4-ethoxy-3-methylphenyl)azo-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 3-[[3-[(4-ethoxy-3-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[[3-(4-ethoxy-3-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)N=NC2=CC3=CC=CC=C3C(=C2)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCOC1=C(C=C(C=C1)N=NC2=CC3=CC=CC=C3C(=C2)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])C.[Na+]

InChI

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