sodium 5-[(4-ethoxy-2-methyl-phenyl)diazenyl]-8-phenyldiazenyl-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[(4-ethoxy-2-methyl-phenyl)diazenyl]-8-phenyldiazenyl-naphthalene-2-sulfonate Openeye Name: sodium 5-(4-ethoxy-2-methyl-phenyl)azo-8-phenylazo-naphthalene-2-sulfonate CAS Name: sodium 5-(4-ethoxy-2-methylphenyl)azo-8-phenyldiazenyl-2-naphthalenesulfonate IUPAC Name: sodium 5-[(4-ethoxy-2-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-2-sulfonate Traditional Name: sodium 5-(4-ethoxy-2-methyl-phenyl)azo-8-phenylazo-naphthalene-2-sulfonate Formula: C25H21N4NaO4S MolecularWeight: 496.51341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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