4-methylbenzenesulfonate; methyl-tris[4-(trifluoromethyl)phenyl]phosphanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-tris[4-(trifluoromethyl)phenyl]phosphanium Openeye Name: 4-methylbenzenesulfonate; methyl-tris[4-(trifluoromethyl)phenyl]phosphonium CAS Name: 4-methylbenzenesulfonate; methyl-tris[4-(trifluoromethyl)phenyl]phosphonium IUPAC Name: 4-methylbenzenesulfonate; methyl-tris[4-(trifluoromethyl)phenyl]phosphanium Traditional Name: methyl-tris[4-(trifluoromethyl)phenyl]phosphonium tosylate Formula: C29H22F9O3PS MolecularWeight: 652.50757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15F9P.C7H8O3S/c1-32(17-8-2-14(3-9-17)20(23,24)25,18-10-4-15(5-11-18)21(26,27)28)19-12-6-16(7-13-19)22(29,30)31;1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1