8-[(4-methylphenyl)amino]-5-[[4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 8-[(4-methylphenyl)amino]-5-[[4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 8-(4-methylanilino)-5-[[4-[(5-sulfo-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulfonic acid CAS Name: 8-(4-methylanilino)-5-[[4-[(5-sulfo-1-naphthalenyl)azo]-1-naphthalenyl]azo]-1-naphthalenesulfonic acid IUPAC Name: 8-(4-methylanilino)-5-[[4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 8-(p-toluidino)-5-[[4-[(5-sulfo-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulfonic acid Formula: C37H27N5O6S2 MolecularWeight: 701.77018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)O)C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C37H27N5O6S2/c1-23-15-17-24(18-16-23)38-34-22-21-33(29-11-6-14-36(37(29)34)50(46,47)48)42-41-32-20-19-31(25-7-2-3-8-26(25)32)40-39-30-12-4-10-28-27(30)9-5-13-35(28)49(43,44)45/h2-22,38H,1H3,(H,43,44,45)(H,46,47,48)