4-[6,6-bis(fluoranyl)hexadecylamino]benzoic acid

Systemtic Name: 4-[6,6-bis(fluoranyl)hexadecylamino]benzoic acid Openeye Name: 4-(6,6-difluorohexadecylamino)benzoic acid CAS Name: 4-(6,6-difluorohexadecylamino)benzoic acid IUPAC Name: 4-(6,6-difluorohexadecylamino)benzoic acid Traditional Name: 4-(6,6-difluorohexadecylamino)benzoic acid Formula: C23H37F2NO2 MolecularWeight: 397.542186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)O)(F)F

Isomeric SMILES

CCCCCCCCCCC(CCCCCNC1=CC=C(C=C1)C(=O)O)(F)F

InChI

InChI=1S/C23H37F2NO2/c1-2-3-4-5-6-7-8-10-17-23(24,25)18-11-9-12-19-26-21-15-13-20(14-16-21)22(27)28/h13-16,26H,2-12,17-19H2,1H3,(H,27,28)