4-cyano-3-fluoranyl-2-[4-[(E)-2-fluoranyloct-1-enyl]phenyl]benzoate

Systemtic Name: 4-cyano-3-fluoranyl-2-[4-[(E)-2-fluoranyloct-1-enyl]phenyl]benzoate Openeye Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoate CAS Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoate IUPAC Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoate Traditional Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoate Formula: C22H20F2NO2- MolecularWeight: 368.396506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CC1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)[O-])F

Isomeric SMILES

CCCCCC/C(=C\C1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)[O-])/F

InChI

InChI=1S/C22H21F2NO2/c1-2-3-4-5-6-18(23)13-15-7-9-16(10-8-15)20-19(22(26)27)12-11-17(14-25)21(20)24/h7-13H,2-6H2,1H3,(H,26,27)/p-1/b18-13+