2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 2,5-bis(p-tolylsulfonyloxy)benzenesulfonate; tris-p-tolylsulfonium CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 2,5-ditosyloxybesylate; tris-p-tolylsulfonium Formula: C41H38O9S4 MolecularWeight: 802.99502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.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+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.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/C21H21S.C20H18O9S3/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-14-3-8-17(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/h4-15H,1-3H3;3-13H,1-2H3,(H,21,22,23)/q+1;/p-1