2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid

Systemtic Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid Openeye Name: 2,5-bis(p-tolylsulfonyloxy)benzenesulfonic acid CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid IUPAC Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid Traditional Name: 2,5-ditosyloxybesylic acid Formula: C20H18O9S3 MolecularWeight: 498.54652

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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

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

InChI

InChI=1S/C20H18O9S3/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)