sodium 2-[[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate Openeye Name: sodium 5-nitro-2-[4-[4-(p-tolylsulfonyloxy)phenyl]azoanilino]benzenesulfonate CAS Name: sodium 2-[4-[4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]-5-nitrobenzenesulfonate IUPAC Name: sodium 2-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate Traditional Name: sodium 5-nitro-2-[4-(4-tosyloxyphenyl)azoanilino]besylate Formula: C25H19N4NaO8S2 MolecularWeight: 590.56013

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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=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O8S2.Na/c1-17-2-13-23(14-3-17)39(35,36)37-22-11-8-20(9-12-22)28-27-19-6-4-18(5-7-19)26-24-15-10-21(29(30)31)16-25(24)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1