3,5-bis(fluoranyl)-4-[[(E)-octadec-9-enyl]amino]benzoic acid

Systemtic Name: 3,5-bis(fluoranyl)-4-[[(E)-octadec-9-enyl]amino]benzoic acid Openeye Name: 3,5-difluoro-4-[[(E)-octadec-9-enyl]amino]benzoic acid CAS Name: 3,5-difluoro-4-[[(E)-octadec-9-enyl]amino]benzoic acid IUPAC Name: 3,5-difluoro-4-[[(E)-octadec-9-enyl]amino]benzoic acid Traditional Name: 3,5-difluoro-4-[[(E)-octadec-9-enyl]amino]benzoic acid Formula: C25H39F2NO2 MolecularWeight: 423.579466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC1=C(C=C(C=C1F)C(=O)O)F

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC1=C(C=C(C=C1F)C(=O)O)F

InChI

InChI=1S/C25H39F2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-24-22(26)19-21(25(29)30)20-23(24)27/h9-10,19-20,28H,2-8,11-18H2,1H3,(H,29,30)/b10-9+