bis[(4-methylphenyl)carbonyl]-(9-oxidanylidene-7-propan-2-yl-thioxanthen-2-yl)sulfanium hexafluorophosphate

Systemtic Name: bis[(4-methylphenyl)carbonyl]-(9-oxidanylidene-7-propan-2-yl-thioxanthen-2-yl)sulfanium hexafluorophosphate Openeye Name: (7-isopropyl-9-oxo-thioxanthen-2-yl)-bis(4-methylbenzoyl)sulfonium hexafluorophosphate CAS Name: bis[(4-methylphenyl)-oxomethyl]-(9-oxo-7-propan-2-yl-2-thioxanthenyl)sulfonium hexafluorophosphate IUPAC Name: bis(4-methylbenzoyl)-(9-oxo-7-propan-2-ylthioxanthen-2-yl)sulfanium hexafluorophosphate Traditional Name: (7-isopropyl-9-keto-thioxanthen-2-yl)-bis(p-toluoyl)sulfonium hexafluorophosphate Formula: C32H27F6O3PS2 MolecularWeight: 668.64916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[S+](C2=CC3=C(C=C2)SC4=C(C3=O)C=C(C=C4)C(C)C)C(=O)C5=CC=C(C=C5)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[S+](C2=CC3=C(C=C2)SC4=C(C3=O)C=C(C=C4)C(C)C)C(=O)C5=CC=C(C=C5)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C32H27O3S2.F6P/c1-19(2)24-13-15-28-26(17-24)30(33)27-18-25(14-16-29(27)36-28)37(31(34)22-9-5-20(3)6-10-22)32(35)23-11-7-21(4)8-12-23;1-7(2,3,4,5)6/h5-19H,1-4H3;/q+1;-1