(5,7-diethyl-9-oxidanylidene-thioxanthen-2-yl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (5,7-diethyl-9-oxidanylidene-thioxanthen-2-yl)-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (5,7-diethyl-9-oxo-thioxanthen-2-yl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: (5,7-diethyl-9-oxo-2-thioxanthenyl)-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: (5,7-diethyl-9-oxothioxanthen-2-yl)-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (5,7-diethyl-9-keto-thioxanthen-2-yl)-diphenyl-sulfonium triflate Formula: C30H25F3O4S3 MolecularWeight: 602.70731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5)CC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC(=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5)CC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H25OS2.CHF3O3S/c1-3-20-17-21(4-2)29-26(18-20)28(30)25-19-24(15-16-27(25)31-29)32(22-11-7-5-8-12-22)23-13-9-6-10-14-23;2-1(3,4)8(5,6)7/h5-19H,3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1