1-chloranyl-1-cyano-4-methyl-2-(trifluoromethyl)-1-triphenylphosphaniumyl-pentan-2-olate

Systemtic Name: 1-chloranyl-1-cyano-4-methyl-2-(trifluoromethyl)-1-triphenylphosphaniumyl-pentan-2-olate Openeye Name: 1-chloro-1-cyano-4-methyl-2-(trifluoromethyl)-1-triphenylphosphaniumyl-pentan-2-olate CAS Name: 1-chloro-1-cyano-4-methyl-2-(trifluoromethyl)-1-triphenylphosphiniumyl-2-pentanolate IUPAC Name: 1-chloro-1-cyano-4-methyl-2-(trifluoromethyl)-1-triphenylphosphaniumylpentan-2-olate Traditional Name: 1-chloro-1-cyano-4-methyl-2-(trifluoromethyl)-1-triphenylphosphiniumyl-pentan-2-olate Formula: C26H24ClF3NOP MolecularWeight: 489.896831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClF3NOP/c1-20(2)18-24(32,26(28,29)30)25(27,19-31)33(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18H2,1-2H3