(4-oxidanyl-4-oxidanylidene-butyl)-triphenyl-phosphanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (4-oxidanyl-4-oxidanylidene-butyl)-triphenyl-phosphanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (4-hydroxy-4-oxo-butyl)-triphenyl-phosphonium; 2,2,2-trifluoroacetate CAS Name: (4-hydroxy-4-oxobutyl)-triphenylphosphonium; 2,2,2-trifluoroacetate IUPAC Name: (4-hydroxy-4-oxobutyl)-triphenylphosphanium; 2,2,2-trifluoroacetate Traditional Name: (4-hydroxy-4-keto-butyl)-triphenyl-phosphonium; 2,2,2-trifluoroacetate Formula: C24H22F3O4P MolecularWeight: 462.398051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21O2P.C2HF3O2/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;3-2(4,5)1(6)7/h1-9,11-16H,10,17-18H2;(H,6,7)