9,9,9-tris(fluoranyl)nonyl (E)-5-(2-cyanophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 9,9,9-tris(fluoranyl)nonyl (E)-5-(2-cyanophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: 9,9,9-trifluorononyl (E)-5-(2-cyanophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(2-cyanophenyl)-3-oxo-4-pentenoic acid 9,9,9-trifluorononyl ester IUPAC Name: 9,9,9-trifluorononyl (E)-5-(2-cyanophenyl)-3-oxopent-4-enoate Traditional Name: (E)-5-(2-cyanophenyl)-3-keto-pent-4-enoic acid 9,9,9-trifluorononyl ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)CC(=O)OCCCCCCCCC(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)CC(=O)OCCCCCCCCC(F)(F)F)C#N

InChI

InChI=1S/C21H24F3NO3/c22-21(23,24)13-7-3-1-2-4-8-14-28-20(27)15-19(26)12-11-17-9-5-6-10-18(17)16-25/h5-6,9-12H,1-4,7-8,13-15H2/b12-11+