4,7-dimethyl-8-(phenylazanyldiazenyl)-5-[(2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4,7-dimethyl-8-(phenylazanyldiazenyl)-5-[(2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid Openeye Name: 8-anilinoazo-4,7-dimethyl-5-(2-sulfophenyl)azo-naphthalene-1-sulfonic acid CAS Name: 8-anilinoazo-4,7-dimethyl-5-(2-sulfophenyl)azo-1-naphthalenesulfonic acid IUPAC Name: 8-(anilinodiazenyl)-4,7-dimethyl-5-[(2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid Traditional Name: 8-anilinoazo-4,7-dimethyl-5-(2-sulfophenyl)azo-naphthalene-1-sulfonic acid Formula: C24H21N5O6S2 MolecularWeight: 539.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C(C2=C(C=C1)S(=O)(=O)O)N=NNC3=CC=CC=C3)C)N=NC4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C(C2=C(C=C1)S(=O)(=O)O)N=NNC3=CC=CC=C3)C)N=NC4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C24H21N5O6S2/c1-15-12-13-21(37(33,34)35)23-22(15)19(27-26-18-10-6-7-11-20(18)36(30,31)32)14-16(2)24(23)28-29-25-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,25,28)(H,30,31,32)(H,33,34,35)