2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; triphenylsulfanium

Systemtic Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; triphenylsulfanium Openeye Name: 2,5-bis(p-tolylsulfonyloxy)benzenesulfonate; triphenylsulfonium CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; triphenylsulfonium IUPAC Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; triphenylsulfanium Traditional Name: 2,5-ditosyloxybesylate; triphenylsulfonium Formula: C38H32O9S4 MolecularWeight: 760.91528

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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-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

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-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18O9S3.C18H15S/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h3-13H,1-2H3,(H,21,22,23);1-15H/q;+1/p-1