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

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

Systemtic Name:3-[3,4-bis(fluoranyl)phenyl]-3-cyano-pentanedioic acid
Openeye Name:3-cyano-3-(3,4-difluorophenyl)pentanedioic acid
CAS Name:3-cyano-3-(3,4-difluorophenyl)pentanedioic acid
IUPAC Name:3-cyano-3-(3,4-difluorophenyl)pentanedioic acid
Traditional Name:3-cyano-3-(3,4-difluorophenyl)glutaric acid
Formula: C12H9F2NO4
MolecularWeight: 269.200966
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H9F2NO4/c13-8-2-1-7(3-9(8)14)12(6-15,4-10(16)17)5-11(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)


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