4-methylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium Openeye Name: 4-methylbenzenesulfonate; (9-oxoxanthen-2-yl)-diphenyl-sulfonium CAS Name: 4-methylbenzenesulfonate; (9-oxo-2-xanthenyl)-diphenylsulfonium IUPAC Name: 4-methylbenzenesulfonate; (9-oxoxanthen-2-yl)-diphenylsulfanium Traditional Name: (9-ketoxanthen-2-yl)-diphenyl-sulfonium tosylate Formula: C32H24O5S2 MolecularWeight: 552.65996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17O2S.C7H8O3S/c26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-17H;2-5H,1H3,(H,8,9,10)/q+1;/p-1