[(2S,6S)-6-methyl-5-oxidanylidene-2H-pyran-2-yl] benzoate

Systemtic Name: [(2S,6S)-6-methyl-5-oxidanylidene-2H-pyran-2-yl] benzoate Openeye Name: [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] benzoate CAS Name: benzoic acid [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] ester IUPAC Name: [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] benzoate Traditional Name: benzoic acid [(2S,6S)-5-keto-6-methyl-2H-pyran-2-yl] ester Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C=CC(O1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1C(=O)C=C[C@@H](O1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12O4/c1-9-11(14)7-8-12(16-9)17-13(15)10-5-3-2-4-6-10/h2-9,12H,1H3/t9-,12-/m0/s1