methyl (1R,4S,5S)-3-oxidanylidene-2-oxabicyclo[2.2.2]octane-5-carboxylate

Systemtic Name: methyl (1R,4S,5S)-3-oxidanylidene-2-oxabicyclo[2.2.2]octane-5-carboxylate Openeye Name: methyl (1R,4S,5S)-3-oxo-2-oxabicyclo[2.2.2]octane-5-carboxylate CAS Name: (1R,4S,5S)-3-oxo-2-oxabicyclo[2.2.2]octane-5-carboxylic acid methyl ester IUPAC Name: methyl (1R,4S,5S)-3-oxo-2-oxabicyclo[2.2.2]octane-5-carboxylate Traditional Name: (1R,4S,5S)-3-keto-2-oxabicyclo[2.2.2]octane-5-carboxylic acid methyl ester Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2CCC1C(=O)O2

Isomeric SMILES

COC(=O)[C@H]1C[C@H]2CC[C@@H]1C(=O)O2

InChI

InChI=1S/C9H12O4/c1-12-8(10)7-4-5-2-3-6(7)9(11)13-5/h5-7H,2-4H2,1H3/t5-,6+,7+/m1/s1