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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2CCOCC2C1

Isomeric SMILES

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

InChI

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