3-oxidanyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)non-4-ynenitrile

Systemtic Name: 3-oxidanyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)non-4-ynenitrile Openeye Name: 3-hydroxy-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)non-4-ynenitrile CAS Name: 3-hydroxy-3-(trifluoromethyl)-2-triphenylphosphoranylidene-4-nonynenitrile IUPAC Name: 3-hydroxy-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)non-4-ynenitrile Traditional Name: 3-hydroxy-3-(trifluoromethyl)-2-triphenylphosphoranylidene-non-4-ynenitrile Formula: C28H25F3NOP MolecularWeight: 479.473171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)(C(F)(F)F)O

Isomeric SMILES

CCCCC#CC(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)(C(F)(F)F)O

InChI

InChI=1S/C28H25F3NOP/c1-2-3-4-14-21-27(33,28(29,30)31)26(22-32)34(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20,33H,2-4H2,1H3