2-chloranyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-(trifluoromethyl)-2-triphenylphosphaniumyl-nonan-3-olate

Systemtic Name: 2-chloranyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-(trifluoromethyl)-2-triphenylphosphaniumyl-nonan-3-olate Openeye Name: 1-tert-butoxy-2-chloro-1-oxo-3-(trifluoromethyl)-2-triphenylphosphaniumyl-nonan-3-olate CAS Name: 2-chloro-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(trifluoromethyl)-2-triphenylphosphiniumyl-3-nonanolate IUPAC Name: 2-chloro-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-(trifluoromethyl)-2-triphenylphosphaniumylnonan-3-olate Traditional Name: 1-tert-butoxy-2-chloro-1-keto-3-(trifluoromethyl)-2-triphenylphosphiniumyl-nonan-3-olate Formula: C32H37ClF3O3P MolecularWeight: 593.056351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C(=O)OC(C)(C)C)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCCCC(C(C(=O)OC(C)(C)C)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl)(C(F)(F)F)[O-]

InChI

InChI=1S/C32H37ClF3O3P/c1-5-6-7-17-24-30(38,32(34,35)36)31(33,28(37)39-29(2,3)4)40(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27/h8-16,18-23H,5-7,17,24H2,1-4H3