[(1S)-2-oxidanylidenecyclohexyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OC3CCCCC3=O

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C16H18O6/c1-19-13-8-10(9-14-15(13)21-7-6-20-14)16(18)22-12-5-3-2-4-11(12)17/h8-9,12H,2-7H2,1H3/t12-/m0/s1