4-[16,16-bis(fluoranyl)heptadecylamino]benzoic acid

Systemtic Name: 4-[16,16-bis(fluoranyl)heptadecylamino]benzoic acid Openeye Name: 4-(16,16-difluoroheptadecylamino)benzoic acid CAS Name: 4-(16,16-difluoroheptadecylamino)benzoic acid IUPAC Name: 4-(16,16-difluoroheptadecylamino)benzoic acid Traditional Name: 4-(16,16-difluoroheptadecylamino)benzoic acid Formula: C24H39F2NO2 MolecularWeight: 411.568766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O)(F)F

Isomeric SMILES

CC(CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O)(F)F

InChI

InChI=1S/C24H39F2NO2/c1-24(25,26)19-13-11-9-7-5-3-2-4-6-8-10-12-14-20-27-22-17-15-21(16-18-22)23(28)29/h15-18,27H,2-14,19-20H2,1H3,(H,28,29)