2,5-bis(fluoranyl)-4-(hexadecylamino)benzoic acid

Systemtic Name: 2,5-bis(fluoranyl)-4-(hexadecylamino)benzoic acid Openeye Name: 2,5-difluoro-4-(hexadecylamino)benzoic acid CAS Name: 2,5-difluoro-4-(hexadecylamino)benzoic acid IUPAC Name: 2,5-difluoro-4-(hexadecylamino)benzoic acid Traditional Name: 4-(cetylamino)-2,5-difluoro-benzoic acid Formula: C23H37F2NO2 MolecularWeight: 397.542186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)F)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)F)C(=O)O)F

InChI

InChI=1S/C23H37F2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-22-18-20(24)19(23(27)28)17-21(22)25/h17-18,26H,2-16H2,1H3,(H,27,28)