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

Systemtic Name: methyl (1R,5S)-2,6,6-trimethyl-4-oxidanylidene-bicyclo[3.1.1]hept-2-ene-3-carboxylate Openeye Name: methyl (1R,5S)-2,6,6-trimethyl-4-oxo-bicyclo[3.1.1]hept-2-ene-3-carboxylate CAS Name: (1R,5S)-2,6,6-trimethyl-4-oxo-3-bicyclo[3.1.1]hept-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-2,6,6-trimethyl-4-oxobicyclo[3.1.1]hept-2-ene-3-carboxylate Traditional Name: (1R,5S)-4-keto-2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene-3-carboxylic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2CC1C2(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)[C@H]2C[C@@H]1C2(C)C)C(=O)OC

InChI

InChI=1S/C12H16O3/c1-6-7-5-8(12(7,2)3)10(13)9(6)11(14)15-4/h7-8H,5H2,1-4H3/t7-,8+/m0/s1