sodium 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate

Systemtic Name: sodium 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate Openeye Name: sodium 2,5-bis(p-tolylsulfonyloxy)benzenesulfonate CAS Name: sodium 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: sodium 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: sodium 2,5-ditosyloxybesylate Formula: C20H17NaO9S3 MolecularWeight: 520.52835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)[O-].[Na+]

InChI

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