1-methyl-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-1-phenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium triflate Formula: C17H12F9O4PS MolecularWeight: 514.29917

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Descriptors Computed from Structure

Canonical SMILES:

C[P+]1(C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[P+]1(C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H12F6OP.CHF3O3S/c1-24(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(23-24,15(17,18)19)16(20,21)22;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)/q+1;/p-1