ethyl (4S)-4-hexyl-7,7-dimethyl-2-oxidanyl-5-oxidanylidene-3,4,6,8-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl (4S)-4-hexyl-7,7-dimethyl-2-oxidanyl-5-oxidanylidene-3,4,6,8-tetrahydrochromene-2-carboxylate Openeye Name: ethyl (4S)-4-hexyl-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-2-carboxylate CAS Name: (4S)-4-hexyl-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-hexyl-2-hydroxy-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrochromene-2-carboxylate Traditional Name: (4S)-4-hexyl-2-hydroxy-5-keto-7,7-dimethyl-3,4,6,8-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C20H32O5 MolecularWeight: 352.46508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC2=C1C(=O)CC(C2)(C)C)(C(=O)OCC)O

Isomeric SMILES

CCCCCC[C@H]1CC(OC2=C1C(=O)CC(C2)(C)C)(C(=O)OCC)O

InChI

InChI=1S/C20H32O5/c1-5-7-8-9-10-14-11-20(23,18(22)24-6-2)25-16-13-19(3,4)12-15(21)17(14)16/h14,23H,5-13H2,1-4H3/t14-,20?/m0/s1