3-[[6,6,6-tris(fluoranyl)-2-propyl-hexanoyl]amino]benzoic acid

Systemtic Name: 3-[[6,6,6-tris(fluoranyl)-2-propyl-hexanoyl]amino]benzoic acid Openeye Name: 3-[(6,6,6-trifluoro-2-propyl-hexanoyl)amino]benzoic acid CAS Name: 3-[(6,6,6-trifluoro-1-oxo-2-propylhexyl)amino]benzoic acid IUPAC Name: 3-[(6,6,6-trifluoro-2-propylhexanoyl)amino]benzoic acid Traditional Name: 3-[(6,6,6-trifluoro-2-propyl-hexanoyl)amino]benzoic acid Formula: C16H20F3NO3 MolecularWeight: 331.33011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3NO3/c1-2-5-11(7-4-9-16(17,18)19)14(21)20-13-8-3-6-12(10-13)15(22)23/h3,6,8,10-11H,2,4-5,7,9H2,1H3,(H,20,21)(H,22,23)