[4-cyano-3,5-bis(fluoranyl)phenyl] 4-but-3-enyl-2-fluoranyl-benzoate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 4-but-3-enyl-2-fluoranyl-benzoate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 4-but-3-enyl-2-fluoro-benzoate CAS Name: 4-but-3-enyl-2-fluorobenzoic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-but-3-enyl-2-fluorobenzoate Traditional Name: 4-but-3-enyl-2-fluoro-benzoic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C18H12F3NO2 MolecularWeight: 331.28859

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F)F

Isomeric SMILES

C=CCCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F)F

InChI

InChI=1S/C18H12F3NO2/c1-2-3-4-11-5-6-13(15(19)7-11)18(23)24-12-8-16(20)14(10-22)17(21)9-12/h2,5-9H,1,3-4H2