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8-[(4-methylphenyl)amino]-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid

8-[(4-methylphenyl)amino]-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name:8-[(4-methylphenyl)amino]-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
Openeye Name:8-(4-methylanilino)-5-[[4-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid
CAS Name:8-(4-methylanilino)-5-[[4-(3-sulfophenyl)azo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid
IUPAC Name:8-(4-methylanilino)-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
Traditional Name:8-(p-toluidino)-5-[[4-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonic acid
Formula: C33H25N5O6S2
MolecularWeight: 651.7115
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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(=CC=C6)S(=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(=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O


InChI

InChI=1S/C33H25N5O6S2/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44)


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