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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2CCCCC2C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(O[C@H]2CCCC[C@@H]2C1=O)C

InChI

InChI=1S/C13H18O4/c1-3-16-13(15)11-8(2)17-10-7-5-4-6-9(10)12(11)14/h9-10H,3-7H2,1-2H3/t9-,10-/m0/s1