pentyl 2-[3,4-dicyano-2,5,6-tris(fluoranyl)phenoxy]-3-phenyl-benzoate

Systemtic Name: pentyl 2-[3,4-dicyano-2,5,6-tris(fluoranyl)phenoxy]-3-phenyl-benzoate Openeye Name: pentyl 2-(3,4-dicyano-2,5,6-trifluoro-phenoxy)-3-phenyl-benzoate CAS Name: 2-(3,4-dicyano-2,5,6-trifluorophenoxy)-3-phenylbenzoic acid pentyl ester IUPAC Name: pentyl 2-(3,4-dicyano-2,5,6-trifluorophenoxy)-3-phenylbenzoate Traditional Name: 2-(3,4-dicyano-2,5,6-trifluoro-phenoxy)-3-phenyl-benzoic acid amyl ester Formula: C26H19F3N2O3 MolecularWeight: 464.43587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC(=C1OC2=C(C(=C(C(=C2F)F)C#N)C#N)F)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC(=C1OC2=C(C(=C(C(=C2F)F)C#N)C#N)F)C3=CC=CC=C3

InChI

InChI=1S/C26H19F3N2O3/c1-2-3-7-13-33-26(32)18-12-8-11-17(16-9-5-4-6-10-16)24(18)34-25-22(28)20(15-31)19(14-30)21(27)23(25)29/h4-6,8-12H,2-3,7,13H2,1H3