(4-butoxyphenyl)-phenyl-iodanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (4-butoxyphenyl)-phenyl-iodanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (4-butoxyphenyl)-phenyl-iodonium; 2,2,2-trifluoroacetate CAS Name: (4-butoxyphenyl)-phenyliodonium; 2,2,2-trifluoroacetate IUPAC Name: (4-butoxyphenyl)-phenyliodanium; 2,2,2-trifluoroacetate Traditional Name: (4-butoxyphenyl)-phenyl-iodonium; 2,2,2-trifluoroacetate Formula: C18H18F3IO3 MolecularWeight: 466.2334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H18IO.C2HF3O2/c1-2-3-13-18-16-11-9-15(10-12-16)17-14-7-5-4-6-8-14;3-2(4,5)1(6)7/h4-12H,2-3,13H2,1H3;(H,6,7)/q+1;/p-1