4-[1,1,1-tris(fluoranyl)hexadecan-2-ylamino]benzoic acid

Systemtic Name: 4-[1,1,1-tris(fluoranyl)hexadecan-2-ylamino]benzoic acid Openeye Name: 4-[1-(trifluoromethyl)pentadecylamino]benzoic acid CAS Name: 4-(1,1,1-trifluorohexadecan-2-ylamino)benzoic acid IUPAC Name: 4-(1,1,1-trifluorohexadecan-2-ylamino)benzoic acid Traditional Name: 4-[1-(trifluoromethyl)pentadecylamino]benzoic acid Formula: C23H36F3NO2 MolecularWeight: 415.53265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(F)(F)F)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(F)(F)F)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C23H36F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(23(24,25)26)27-20-17-15-19(16-18-20)22(28)29/h15-18,21,27H,2-14H2,1H3,(H,28,29)