ethyl (4aS,8S,8aS)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate

Systemtic Name: ethyl (4aS,8S,8aS)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Openeye Name: ethyl (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate CAS Name: (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Traditional Name: (4aS,8S,8aS)-1-keto-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylic acid ethyl ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=CC2C1C(=O)OCC2

Isomeric SMILES

CCOC(=O)[C@H]1CC=C[C@H]2[C@@H]1C(=O)OCC2

InChI

InChI=1S/C12H16O4/c1-2-15-11(13)9-5-3-4-8-6-7-16-12(14)10(8)9/h3-4,8-10H,2,5-7H2,1H3/t8-,9+,10+/m1/s1