methyl (1R,3aS,6aS)-1,3-dimethyl-4-oxidanylidene-3a,5,6,6a-tetrahydro-1H-pentalene-2-carboxylate

Systemtic Name: methyl (1R,3aS,6aS)-1,3-dimethyl-4-oxidanylidene-3a,5,6,6a-tetrahydro-1H-pentalene-2-carboxylate Openeye Name: methyl (1R,3aS,6aS)-1,3-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-1H-pentalene-2-carboxylate CAS Name: (1R,3aS,6aS)-1,3-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-1H-pentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,3aS,6aS)-1,3-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-1H-pentalene-2-carboxylate Traditional Name: (1R,3aS,6aS)-4-keto-1,3-dimethyl-3a,5,6,6a-tetrahydro-1H-pentalene-2-carboxylic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC(=O)C2C(=C1C(=O)OC)C

Isomeric SMILES

C[C@@H]1[C@@H]2CCC(=O)[C@@H]2C(=C1C(=O)OC)C

InChI

InChI=1S/C12H16O3/c1-6-8-4-5-9(13)11(8)7(2)10(6)12(14)15-3/h6,8,11H,4-5H2,1-3H3/t6-,8+,11-/m1/s1