[(1R,2S)-1-methoxycarbonyl-2-(phenylcarbonyloxy)cyclohex-3-en-1-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(1R,2S)-1-methoxycarbonyl-2-(phenylcarbonyloxy)cyclohex-3-en-1-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1R,2S)-2-benzoyloxy-1-methoxycarbonyl-cyclohex-3-en-1-yl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(1R,2S)-2-benzoyloxy-1-methoxycarbonyl-1-cyclohex-3-enyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(1R,2S)-2-benzoyloxy-1-methoxycarbonylcyclohex-3-en-1-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1R,2S)-2-benzoyloxy-1-carbomethoxy-cyclohex-3-en-1-yl]ammonium; 2,2,2-trifluoroacetate Formula: C17H18F3NO6 MolecularWeight: 389.32313

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC=CC1OC(=O)C2=CC=CC=C2)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)[C@]1(CCC=C[C@@H]1OC(=O)C2=CC=CC=C2)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C15H17NO4.C2HF3O2/c1-19-14(18)15(16)10-6-5-9-12(15)20-13(17)11-7-3-2-4-8-11;3-2(4,5)1(6)7/h2-5,7-9,12H,6,10,16H2,1H3;(H,6,7)/t12-,15+;/m0./s1