ethyl (1S,3S,8aS)-3-methoxy-3,5,6,7,8,8a-hexahydro-1H-isochromene-1-carboxylate

Systemtic Name: ethyl (1S,3S,8aS)-3-methoxy-3,5,6,7,8,8a-hexahydro-1H-isochromene-1-carboxylate Openeye Name: ethyl (1S,3S,8aS)-3-methoxy-3,5,6,7,8,8a-hexahydro-1H-isochromene-1-carboxylate CAS Name: (1S,3S,8aS)-3-methoxy-3,5,6,7,8,8a-hexahydro-1H-2-benzopyran-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3S,8aS)-3-methoxy-3,5,6,7,8,8a-hexahydro-1H-isochromene-1-carboxylate Traditional Name: (1S,3S,8aS)-3-methoxy-3,5,6,7,8,8a-hexahydro-1H-isochromene-1-carboxylic acid ethyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCCCC2=CC(O1)OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]2CCCCC2=C[C@H](O1)OC

InChI

InChI=1S/C13H20O4/c1-3-16-13(14)12-10-7-5-4-6-9(10)8-11(15-2)17-12/h8,10-12H,3-7H2,1-2H3/t10-,11-,12-/m0/s1