sodium 4-(4-methylphenyl)sulfonyl-5-(4-methylphenyl)sulfonyloxy-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 4-(4-methylphenyl)sulfonyl-5-(4-methylphenyl)sulfonyloxy-2-oxidanyl-benzenesulfonate Openeye Name: sodium 2-hydroxy-4-(p-tolylsulfonyl)-5-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: sodium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: sodium 2-hydroxy-4-(4-methylphenyl)sulfonyl-5-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: sodium 2-hydroxy-4-tosyl-5-tosyloxy-besylate Formula: C20H17NaO9S3 MolecularWeight: 520.52835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C.[Na+]

InChI

InChI=1S/C20H18O9S3.Na/c1-13-3-7-15(8-4-13)30(22,23)20-11-17(21)19(31(24,25)26)12-18(20)29-32(27,28)16-9-5-14(2)6-10-16;/h3-12,21H,1-2H3,(H,24,25,26);/q;+1/p-1