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

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

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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=CC=CC4=C3OC5=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=CC=CC4=C3OC5=CC=CC=C5C4=O

InChI

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