1-chloranyl-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphaniumyl-but-3-yn-2-olate

Systemtic Name: 1-chloranyl-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphaniumyl-but-3-yn-2-olate Openeye Name: 1-chloro-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphaniumyl-but-3-yn-2-olate CAS Name: 1-chloro-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphiniumyl-3-butyn-2-olate IUPAC Name: 1-chloro-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphaniumylbut-3-yn-2-olate Traditional Name: 1-chloro-1-cyano-4-phenyl-2-(trifluoromethyl)-1-triphenylphosphiniumyl-but-3-yn-2-olate Formula: C30H20ClF3NOP MolecularWeight: 533.907871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H20ClF3NOP/c31-29(23-35,28(36,30(32,33)34)22-21-24-13-5-1-6-14-24)37(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H