4-cyano-3-fluoranyl-2-[4-[(Z)-1-fluoranylhex-1-enyl]phenyl]benzoic acid

Systemtic Name: 4-cyano-3-fluoranyl-2-[4-[(Z)-1-fluoranylhex-1-enyl]phenyl]benzoic acid Openeye Name: 4-cyano-3-fluoro-2-[4-[(Z)-1-fluorohex-1-enyl]phenyl]benzoic acid CAS Name: 4-cyano-3-fluoro-2-[4-[(Z)-1-fluorohex-1-enyl]phenyl]benzoic acid IUPAC Name: 4-cyano-3-fluoro-2-[4-[(Z)-1-fluorohex-1-enyl]phenyl]benzoic acid Traditional Name: 4-cyano-3-fluoro-2-[4-[(Z)-1-fluorohex-1-enyl]phenyl]benzoic acid Formula: C20H17F2NO2 MolecularWeight: 341.351286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(C1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)O)F

Isomeric SMILES

CCCC/C=C(/C1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)O)\F

InChI

InChI=1S/C20H17F2NO2/c1-2-3-4-5-17(21)13-6-8-14(9-7-13)18-16(20(24)25)11-10-15(12-23)19(18)22/h5-11H,2-4H2,1H3,(H,24,25)/b17-5-