(5,7-diethyl-9-oxidanylidene-thioxanthen-2-yl)-diphenyl-sulfanium hexafluorophosphate

Systemtic Name: (5,7-diethyl-9-oxidanylidene-thioxanthen-2-yl)-diphenyl-sulfanium hexafluorophosphate Openeye Name: (5,7-diethyl-9-oxo-thioxanthen-2-yl)-diphenyl-sulfonium hexafluorophosphate CAS Name: (5,7-diethyl-9-oxo-2-thioxanthenyl)-diphenylsulfonium hexafluorophosphate IUPAC Name: (5,7-diethyl-9-oxothioxanthen-2-yl)-diphenylsulfanium hexafluorophosphate Traditional Name: (5,7-diethyl-9-keto-thioxanthen-2-yl)-diphenyl-sulfonium hexafluorophosphate Formula: C29H25F6OPS2 MolecularWeight: 598.60238

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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.F[P-](F)(F)(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C29H25OS2.F6P/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;1-7(2,3,4,5)6/h5-19H,3-4H2,1-2H3;/q+1;-1