triphenyl(4-sulfobutyl)phosphanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: triphenyl(4-sulfobutyl)phosphanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2,2,2-trifluoroacetate; triphenyl(4-sulfobutyl)phosphonium CAS Name: 2,2,2-trifluoroacetate; triphenyl(4-sulfobutyl)phosphonium IUPAC Name: 2,2,2-trifluoroacetate; triphenyl(4-sulfobutyl)phosphanium Traditional Name: 2,2,2-trifluoroacetate; triphenyl(4-sulfobutyl)phosphonium Formula: C24H24F3O5PS MolecularWeight: 512.478331

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23O3PS.C2HF3O2/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;3-2(4,5)1(6)7/h1-9,12-17H,10-11,18-19H2;(H,6,7)