ethyl (4aS,8aS)-3-methylidene-2-oxidanylidene-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylate

Systemtic Name: ethyl (4aS,8aS)-3-methylidene-2-oxidanylidene-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylate Openeye Name: ethyl (4aS,8aS)-3-methylene-2-oxo-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylate CAS Name: (4aS,8aS)-3-methylene-2-oxo-4,5,6,7,8,8a-hexahydro-1-benzopyran-4a-carboxylic acid ethyl ester IUPAC Name: ethyl (4aS,8aS)-3-methylidene-2-oxo-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylate Traditional Name: (4aS,8aS)-2-keto-3-methylene-4,5,6,7,8,8a-hexahydrochromene-4a-carboxylic acid ethyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCCC1OC(=O)C(=C)C2

Isomeric SMILES

CCOC(=O)[C@]12CCCC[C@@H]1OC(=O)C(=C)C2

InChI

InChI=1S/C13H18O4/c1-3-16-12(15)13-7-5-4-6-10(13)17-11(14)9(2)8-13/h10H,2-8H2,1H3/t10-,13-/m0/s1