[2-carboxy-1,1,1-tris(fluoranyl)-6-phenyl-hex-5-yn-2-yl]azanium chloride

Systemtic Name: [2-carboxy-1,1,1-tris(fluoranyl)-6-phenyl-hex-5-yn-2-yl]azanium chloride Openeye Name: [1-carboxy-5-phenyl-1-(trifluoromethyl)pent-4-ynyl]ammonium chloride CAS Name: (2-carboxy-1,1,1-trifluoro-6-phenylhex-5-yn-2-yl)ammonium chloride IUPAC Name: (2-carboxy-1,1,1-trifluoro-6-phenylhex-5-yn-2-yl)azanium chloride Traditional Name: [1-carboxy-5-phenyl-1-(trifluoromethyl)pent-4-ynyl]ammonium chloride Formula: C13H13ClF3NO2 MolecularWeight: 307.69603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCCC(C(=O)O)(C(F)(F)F)[NH3+].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C#CCCC(C(=O)O)(C(F)(F)F)[NH3+].[Cl-]

InChI

InChI=1S/C13H12F3NO2.ClH/c14-13(15,16)12(17,11(18)19)9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,5,9,17H2,(H,18,19);1H