ethyl (1S,5S)-2,2-dimethyl-8-oxidanylidene-bicyclo[3.2.1]oct-3-ene-5-carboxylate

Systemtic Name: ethyl (1S,5S)-2,2-dimethyl-8-oxidanylidene-bicyclo[3.2.1]oct-3-ene-5-carboxylate Openeye Name: ethyl (1S,5S)-2,2-dimethyl-8-oxo-bicyclo[3.2.1]oct-3-ene-5-carboxylate CAS Name: (1S,5S)-2,2-dimethyl-8-oxo-5-bicyclo[3.2.1]oct-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,5S)-2,2-dimethyl-8-oxobicyclo[3.2.1]oct-3-ene-5-carboxylate Traditional Name: (1S,5S)-8-keto-2,2-dimethyl-bicyclo[3.2.1]oct-3-ene-5-carboxylic acid ethyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC(C1=O)C(C=C2)(C)C

Isomeric SMILES

CCOC(=O)[C@]12CC[C@H](C1=O)C(C=C2)(C)C

InChI

InChI=1S/C13H18O3/c1-4-16-11(15)13-6-5-9(10(13)14)12(2,3)7-8-13/h7-9H,4-6H2,1-3H3/t9-,13+/m1/s1