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

Systemtic Name: (4-chloranylphenoxy)methyl-triphenyl-phosphanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (4-chlorophenoxy)methyl-triphenyl-phosphonium; 2,2,2-trifluoroacetate CAS Name: (4-chlorophenoxy)methyl-triphenylphosphonium; 2,2,2-trifluoroacetate IUPAC Name: (4-chlorophenoxy)methyl-triphenylphosphanium; 2,2,2-trifluoroacetate Traditional Name: (4-chlorophenoxy)methyl-triphenyl-phosphonium; 2,2,2-trifluoroacetate Formula: C27H21ClF3O3P MolecularWeight: 516.875811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](COC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](COC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C25H21ClOP.C2HF3O2/c26-21-16-18-22(19-17-21)27-20-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;3-2(4,5)1(6)7/h1-19H,20H2;(H,6,7)/q+1;/p-1