3-[3,4-bis(fluoranyl)phenyl]-3-cyano-hexanedioate

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-3-cyano-hexanedioate Openeye Name: 3-cyano-3-(3,4-difluorophenyl)hexanedioate CAS Name: 3-cyano-3-(3,4-difluorophenyl)hexanedioate IUPAC Name: 3-cyano-3-(3,4-difluorophenyl)hexanedioate Traditional Name: 3-cyano-3-(3,4-difluorophenyl)adipate Formula: C13H9F2NO4-2 MolecularWeight: 281.211666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CCC(=O)[O-])(CC(=O)[O-])C#N)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(CCC(=O)[O-])(CC(=O)[O-])C#N)F)F

InChI

InChI=1S/C13H11F2NO4/c14-9-2-1-8(5-10(9)15)13(7-16,6-12(19)20)4-3-11(17)18/h1-2,5H,3-4,6H2,(H,17,18)(H,19,20)/p-2