[(1S,2S,4R)-3-oxidanylidene-7-oxabicyclo[2.2.1]heptan-2-yl] benzoate

Systemtic Name: [(1S,2S,4R)-3-oxidanylidene-7-oxabicyclo[2.2.1]heptan-2-yl] benzoate Openeye Name: [(1S,2S,4R)-3-oxo-7-oxabicyclo[2.2.1]heptan-2-yl] benzoate CAS Name: benzoic acid [(1S,2S,4R)-3-oxo-7-oxabicyclo[2.2.1]heptan-2-yl] ester IUPAC Name: [(1S,2S,4R)-3-oxo-7-oxabicyclo[2.2.1]heptan-2-yl] benzoate Traditional Name: benzoic acid [(1S,2S,4R)-3-keto-7-oxabicyclo[2.2.1]heptan-2-yl] ester Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)C(C1O2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H]2C(=O)[C@H]([C@H]1O2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H12O4/c14-11-9-6-7-10(16-9)12(11)17-13(15)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+,12+/m1/s1