methyl (1S,2S)-2-oxidanyl-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-oxidanyl-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2-hydroxy-4-oxo-cyclohexanecarboxylate CAS Name: (1S,2S)-2-hydroxy-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-hydroxy-4-oxocyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-hydroxy-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C8H12O4 MolecularWeight: 172.17848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)CC1O

Isomeric SMILES

COC(=O)[C@H]1CCC(=O)C[C@@H]1O

InChI

InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h6-7,10H,2-4H2,1H3/t6-,7-/m0/s1