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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C=C(C(=O)C2C1)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-12(2)5-7-4-8(11(14)15-3)10(13)9(7)6-12/h4,7,9H,5-6H2,1-3H3/t7-,9+/m0/s1