4-[1,1,1-tris(fluoranyl)dodecan-3-ylamino]benzoic acid

Systemtic Name: 4-[1,1,1-tris(fluoranyl)dodecan-3-ylamino]benzoic acid Openeye Name: 4-[1-(2,2,2-trifluoroethyl)decylamino]benzoic acid CAS Name: 4-(1,1,1-trifluorododecan-3-ylamino)benzoic acid IUPAC Name: 4-(1,1,1-trifluorododecan-3-ylamino)benzoic acid Traditional Name: 4-[1-(2,2,2-trifluoroethyl)decylamino]benzoic acid Formula: C19H28F3NO2 MolecularWeight: 359.42633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28F3NO2/c1-2-3-4-5-6-7-8-9-17(14-19(20,21)22)23-16-12-10-15(11-13-16)18(24)25/h10-13,17,23H,2-9,14H2,1H3,(H,24,25)