4-[[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-[3-[2-methyl-4-(p-tolylsulfonyloxy)phenyl]azoanilino]-3-nitro-benzenesulfonic acid CAS Name: 4-[3-[2-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-3-nitrobenzenesulfonic acid Traditional Name: 4-[3-(2-methyl-4-tosyloxy-phenyl)azoanilino]-3-nitro-besylic acid Formula: C26H22N4O8S2 MolecularWeight: 582.60488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O8S2/c1-17-6-9-22(10-7-17)40(36,37)38-21-8-12-24(18(2)14-21)29-28-20-5-3-4-19(15-20)27-25-13-11-23(39(33,34)35)16-26(25)30(31)32/h3-16,27H,1-2H3,(H,33,34,35)