methyl (3aR,6aS)-5,5-dimethyl-3-oxidanylidene-1,2,3a,4,6,6a-hexahydropentalene-2-carboxylate

Systemtic Name: methyl (3aR,6aS)-5,5-dimethyl-3-oxidanylidene-1,2,3a,4,6,6a-hexahydropentalene-2-carboxylate Openeye Name: methyl (3aR,6aS)-5,5-dimethyl-3-oxo-1,2,3a,4,6,6a-hexahydropentalene-2-carboxylate CAS Name: (3aR,6aS)-5,5-dimethyl-3-oxo-1,2,3a,4,6,6a-hexahydropentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6aS)-5,5-dimethyl-3-oxo-1,2,3a,4,6,6a-hexahydropentalene-2-carboxylate Traditional Name: (3aR,6aS)-3-keto-5,5-dimethyl-1,2,3a,4,6,6a-hexahydropentalene-2-carboxylic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C(=O)C2C1)C(=O)OC)C

Isomeric SMILES

CC1(C[C@@H]2CC(C(=O)[C@@H]2C1)C(=O)OC)C

InChI

InChI=1S/C12H18O3/c1-12(2)5-7-4-8(11(14)15-3)10(13)9(7)6-12/h7-9H,4-6H2,1-3H3/t7-,8?,9+/m0/s1