4-hex-1-ynyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid

Systemtic Name: 4-hex-1-ynyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid Openeye Name: 4-hex-1-ynyl-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid CAS Name: 4-hex-1-ynyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid IUPAC Name: 4-hex-1-ynyl-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid Traditional Name: 4-hex-1-ynyl-3-[(2,2,2-trifluoroacetyl)amino]benzoic acid Formula: C15H14F3NO3 MolecularWeight: 313.27177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C15H14F3NO3/c1-2-3-4-5-6-10-7-8-11(13(20)21)9-12(10)19-14(22)15(16,17)18/h7-9H,2-4H2,1H3,(H,19,22)(H,20,21)