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

Systemtic Name: ethyl (1R,6aR)-5,5-dimethyl-2-oxidanylidene-1,4,6,6a-tetrahydropentalene-1-carboxylate Openeye Name: ethyl (1R,6aR)-5,5-dimethyl-2-oxo-1,4,6,6a-tetrahydropentalene-1-carboxylate CAS Name: (1R,6aR)-5,5-dimethyl-2-oxo-1,4,6,6a-tetrahydropentalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,6aR)-5,5-dimethyl-2-oxo-1,4,6,6a-tetrahydropentalene-1-carboxylate Traditional Name: (1R,6aR)-2-keto-5,5-dimethyl-1,4,6,6a-tetrahydropentalene-1-carboxylic acid ethyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CC(CC2=CC1=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-4-16-12(15)11-9-7-13(2,3)6-8(9)5-10(11)14/h5,9,11H,4,6-7H2,1-3H3/t9-,11+/m0/s1