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

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-4-cyano-heptanedioic acid Openeye Name: 4-cyano-4-(3,4-difluorophenyl)heptanedioic acid CAS Name: 4-cyano-4-(3,4-difluorophenyl)heptanedioic acid IUPAC Name: 4-cyano-4-(3,4-difluorophenyl)heptanedioic acid Traditional Name: 4-cyano-4-(3,4-difluorophenyl)pimelic acid Formula: C14H13F2NO4 MolecularWeight: 297.254126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F2NO4/c15-10-2-1-9(7-11(10)16)14(8-17,5-3-12(18)19)6-4-13(20)21/h1-2,7H,3-6H2,(H,18,19)(H,20,21)