3-[4-[(Z)-1,2-bis(fluoranyl)pent-1-enyl]phenyl]-2-butyl-benzoate

Systemtic Name: 3-[4-[(Z)-1,2-bis(fluoranyl)pent-1-enyl]phenyl]-2-butyl-benzoate Openeye Name: 2-butyl-3-[4-[(Z)-1,2-difluoropent-1-enyl]phenyl]benzoate CAS Name: 2-butyl-3-[4-[(Z)-1,2-difluoropent-1-enyl]phenyl]benzoate IUPAC Name: 2-butyl-3-[4-[(Z)-1,2-difluoropent-1-enyl]phenyl]benzoate Traditional Name: 2-butyl-3-[4-[(Z)-1,2-difluoropent-1-enyl]phenyl]benzoate Formula: C22H23F2O2- MolecularWeight: 357.413626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1C(=O)[O-])C2=CC=C(C=C2)C(=C(CCC)F)F

Isomeric SMILES

CCCCC1=C(C=CC=C1C(=O)[O-])C2=CC=C(C=C2)/C(=C(\CCC)/F)/F

InChI

InChI=1S/C22H24F2O2/c1-3-5-8-18-17(9-6-10-19(18)22(25)26)15-11-13-16(14-12-15)21(24)20(23)7-4-2/h6,9-14H,3-5,7-8H2,1-2H3,(H,25,26)/p-1/b21-20-