[(1S,6S)-6-oxidanyl-2-(trifluoromethyl)cyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1S,6S)-6-oxidanyl-2-(trifluoromethyl)cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1S,6S)-6-hydroxy-2-(trifluoromethyl)cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,6S)-6-hydroxy-2-(trifluoromethyl)-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,6S)-6-hydroxy-2-(trifluoromethyl)cyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,6S)-6-hydroxy-2-(trifluoromethyl)cyclohex-2-en-1-yl] ester Formula: C14H12F3NO5 MolecularWeight: 331.24399

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=C1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C[C@@H]([C@H](C(=C1)C(F)(F)F)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H12F3NO5/c15-14(16,17)10-2-1-3-11(19)12(10)23-13(20)8-4-6-9(7-5-8)18(21)22/h2,4-7,11-12,19H,1,3H2/t11-,12-/m0/s1