sodium 2-[[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]phenyl]amino]-5-nitro-benzenesulfonate Openeye Name: sodium 2-[4-[3-methyl-4-(p-tolylsulfonyloxy)phenyl]azoanilino]-5-nitro-benzenesulfonate CAS Name: sodium 2-[4-[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]azoanilino]-5-nitrobenzenesulfonate IUPAC Name: sodium 2-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate Traditional Name: sodium 2-[4-(3-methyl-4-tosyloxy-phenyl)azoanilino]-5-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=C(C=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

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

InChI

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