sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-8-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-8-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: sodium 5-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-8-(o-tolylazo)naphthalene-2-sulfonate CAS Name: sodium 5-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-8-(2-methylphenyl)azo-2-naphthalenesulfonate IUPAC Name: sodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-8-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: sodium 5-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-8-(o-tolylazo)naphthalene-2-sulfonate Formula: C27H26N5NaO5S MolecularWeight: 555.58061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)N(CCO)CCO)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)N(CCO)CCO)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H27N5O5S.Na/c1-19-4-2-3-5-25(19)29-31-27-13-12-26(23-11-10-22(18-24(23)27)38(35,36)37)30-28-20-6-8-21(9-7-20)32(14-16-33)15-17-34;/h2-13,18,33-34H,14-17H2,1H3,(H,35,36,37);/q;+1/p-1