methyl (1S)-2-oxidanylidenecycloheptane-1-carboxylate

Systemtic Name: methyl (1S)-2-oxidanylidenecycloheptane-1-carboxylate Openeye Name: methyl (1S)-2-oxocycloheptanecarboxylate CAS Name: (1S)-2-oxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-2-oxocycloheptane-1-carboxylate Traditional Name: (1S)-2-ketocycloheptanecarboxylic acid methyl ester Formula: C9H14O3 MolecularWeight: 170.20566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCCC1=O

Isomeric SMILES

COC(=O)[C@H]1CCCCCC1=O

InChI

InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3/t7-/m0/s1