methyl (4aS,6S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene-6-carboxylate

Systemtic Name: methyl (4aS,6S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene-6-carboxylate Openeye Name: methyl (4aS,6S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene-6-carboxylate CAS Name: (4aS,6S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-2-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (4aS,6S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene-6-carboxylate Traditional Name: (4aS,6S,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene-6-carboxylic acid methyl ester Formula: C11H18O3 MolecularWeight: 198.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2COCCC2C1

Isomeric SMILES

COC(=O)[C@H]1CC[C@@H]2COCC[C@@H]2C1

InChI

InChI=1S/C11H18O3/c1-13-11(12)9-2-3-10-7-14-5-4-8(10)6-9/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1