ethyl (1R,6R,6aR)-5,5-dimethyl-6-oxidanyl-2-oxidanylidene-1,4,6,6a-tetrahydropentalene-1-carboxylate

Systemtic Name: ethyl (1R,6R,6aR)-5,5-dimethyl-6-oxidanyl-2-oxidanylidene-1,4,6,6a-tetrahydropentalene-1-carboxylate Openeye Name: ethyl (1R,6R,6aR)-6-hydroxy-5,5-dimethyl-2-oxo-1,4,6,6a-tetrahydropentalene-1-carboxylate CAS Name: (1R,6R,6aR)-6-hydroxy-5,5-dimethyl-2-oxo-1,4,6,6a-tetrahydropentalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,6R,6aR)-6-hydroxy-5,5-dimethyl-2-oxo-1,4,6,6a-tetrahydropentalene-1-carboxylate Traditional Name: (1R,6R,6aR)-6-hydroxy-2-keto-5,5-dimethyl-1,4,6,6a-tetrahydropentalene-1-carboxylic acid ethyl ester Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2C(C(CC2=CC1=O)(C)C)O

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]2[C@H](C(CC2=CC1=O)(C)C)O

InChI

InChI=1S/C13H18O4/c1-4-17-12(16)10-8(14)5-7-6-13(2,3)11(15)9(7)10/h5,9-11,15H,4,6H2,1-3H3/t9-,10-,11+/m0/s1