sodium 4-[[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-3-nitro-benzenesulfonate

Systemtic Name: sodium 4-[[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-3-nitro-benzenesulfonate Openeye Name: sodium 4-[3-[2-methyl-4-(p-tolylsulfonyloxy)phenyl]azoanilino]-3-nitro-benzenesulfonate CAS Name: sodium 4-[3-[2-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]-3-nitrobenzenesulfonate IUPAC Name: sodium 4-[3-[[2-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-3-nitrobenzenesulfonate Traditional Name: sodium 4-[3-(2-methyl-4-tosyloxy-phenyl)azoanilino]-3-nitro-besylate Formula: C26H21N4NaO8S2 MolecularWeight: 604.58671

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C26H22N4O8S2.Na/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);/q;+1/p-1