[1-chloranyl-1-cyano-2-oxidanyl-2-(trifluoromethyl)oct-3-ynyl]-triphenyl-phosphanium

Systemtic Name: [1-chloranyl-1-cyano-2-oxidanyl-2-(trifluoromethyl)oct-3-ynyl]-triphenyl-phosphanium Openeye Name: [1-chloro-1-cyano-2-hydroxy-2-(trifluoromethyl)oct-3-ynyl]-triphenyl-phosphonium CAS Name: [1-chloro-1-cyano-2-hydroxy-2-(trifluoromethyl)oct-3-ynyl]-triphenylphosphonium IUPAC Name: [1-chloro-1-cyano-2-hydroxy-2-(trifluoromethyl)oct-3-ynyl]-triphenylphosphanium Traditional Name: [1-chloro-1-cyano-2-hydroxy-2-(trifluoromethyl)oct-3-ynyl]-triphenyl-phosphonium Formula: C28H25ClF3NOP+ MolecularWeight: 514.926171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#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

CCCCC#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/C28H25ClF3NOP/c1-2-3-4-14-21-26(34,28(30,31)32)27(29,22-33)35(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20,34H,2-4H2,1H3/q+1