4-benzamido-5,7-dimethyl-6-[(4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 4-benzamido-5,7-dimethyl-6-[(4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: 4-benzamido-5,7-dimethyl-6-(4-methyl-2-sulfo-phenyl)azo-naphthalene-2-sulfonic acid CAS Name: 4-benzamido-5,7-dimethyl-6-(4-methyl-2-sulfophenyl)azo-2-naphthalenesulfonic acid IUPAC Name: 4-benzamido-5,7-dimethyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: 4-benzamido-5,7-dimethyl-6-(4-methyl-2-sulfo-phenyl)azo-naphthalene-2-sulfonic acid Formula: C26H23N3O7S2 MolecularWeight: 553.60672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2C)NC(=O)C4=CC=CC=C4)S(=O)(=O)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2C)NC(=O)C4=CC=CC=C4)S(=O)(=O)O)C)S(=O)(=O)O

InChI

InChI=1S/C26H23N3O7S2/c1-15-9-10-21(23(11-15)38(34,35)36)28-29-25-16(2)12-19-13-20(37(31,32)33)14-22(24(19)17(25)3)27-26(30)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)