ethyl (4aR,8S,8aS)-5-methyl-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate

Systemtic Name: ethyl (4aR,8S,8aS)-5-methyl-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Openeye Name: ethyl (4aR,8S,8aS)-5-methyl-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate CAS Name: (4aR,8S,8aS)-5-methyl-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl (4aR,8S,8aS)-5-methyl-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Traditional Name: (4aR,8S,8aS)-1-keto-5-methyl-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylic acid ethyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=C(C2C1C(=O)OCC2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-3-16-12(14)10-5-4-8(2)9-6-7-17-13(15)11(9)10/h4,9-11H,3,5-7H2,1-2H3/t9-,10-,11-/m0/s1