[(1S)-2-oxidanylidenecyclohexyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H17ClO5 MolecularWeight: 312.74548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OC2CCCCC2=O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O[C@H]2CCCCC2=O)Cl)OC

InChI

InChI=1S/C15H17ClO5/c1-19-13-8-9(7-10(16)14(13)20-2)15(18)21-12-6-4-3-5-11(12)17/h7-8,12H,3-6H2,1-2H3/t12-/m0/s1