methyl (1R,4S)-2,2,4-trimethyl-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-5-carboxylate

Systemtic Name: methyl (1R,4S)-2,2,4-trimethyl-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-5-carboxylate Openeye Name: methyl (1R,4S)-2,2,4-trimethyl-3-oxo-bicyclo[2.2.2]oct-5-ene-5-carboxylate CAS Name: (1R,4S)-2,2,4-trimethyl-3-oxo-5-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,4S)-2,2,4-trimethyl-3-oxobicyclo[2.2.2]oct-5-ene-5-carboxylate Traditional Name: (1R,4S)-3-keto-2,2,4-trimethyl-bicyclo[2.2.2]oct-5-ene-5-carboxylic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1=O)(C(=C2)C(=O)OC)C)C

Isomeric SMILES

C[C@]12CC[C@H](C=C1C(=O)OC)C(C2=O)(C)C

InChI

InChI=1S/C13H18O3/c1-12(2)8-5-6-13(3,11(12)15)9(7-8)10(14)16-4/h7-8H,5-6H2,1-4H3/t8-,13+/m1/s1