methyl (1R,5S)-2-ethyl-6,6-dimethyl-4-oxidanylidene-bicyclo[3.1.1]hept-2-ene-3-carboxylate

Systemtic Name: methyl (1R,5S)-2-ethyl-6,6-dimethyl-4-oxidanylidene-bicyclo[3.1.1]hept-2-ene-3-carboxylate Openeye Name: methyl (1R,5S)-2-ethyl-6,6-dimethyl-4-oxo-bicyclo[3.1.1]hept-2-ene-3-carboxylate CAS Name: (1R,5S)-2-ethyl-6,6-dimethyl-4-oxo-3-bicyclo[3.1.1]hept-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-2-ethyl-6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-ene-3-carboxylate Traditional Name: (1R,5S)-2-ethyl-4-keto-6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-3-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2CC1C2(C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=O)[C@H]2C[C@@H]1C2(C)C)C(=O)OC

InChI

InChI=1S/C13H18O3/c1-5-7-8-6-9(13(8,2)3)11(14)10(7)12(15)16-4/h8-9H,5-6H2,1-4H3/t8-,9+/m0/s1