4-[[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]benzenesulfonic acid Openeye Name: 4-[4-[3-methyl-4-(p-tolylsulfonyloxy)phenyl]azoanilino]benzenesulfonic acid CAS Name: 4-[4-[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]benzenesulfonic acid IUPAC Name: 4-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]benzenesulfonic acid Traditional Name: 4-[4-(3-methyl-4-tosyloxy-phenyl)azoanilino]besylic acid Formula: C26H23N3O6S2 MolecularWeight: 537.60732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C

InChI

InChI=1S/C26H23N3O6S2/c1-18-3-12-25(13-4-18)37(33,34)35-26-16-11-23(17-19(26)2)29-28-22-7-5-20(6-8-22)27-21-9-14-24(15-10-21)36(30,31)32/h3-17,27H,1-2H3,(H,30,31,32)