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

Systemtic Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 2,5-bis(p-tolylsulfonyloxy)benzenesulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 2,5-ditosyloxybesylate; tris(4-tert-butylphenyl)sulfonium Formula: C50H56O9S4 MolecularWeight: 929.23424

Click to see the large picture

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

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

InChI

InChI=1S/C30H39S.C20H18O9S3/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;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/h10-21H,1-9H3;3-13H,1-2H3,(H,21,22,23)/q+1;/p-1