methyl (3S,3aS,6aR)-3,6,6-trimethyl-5-oxidanylidene-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate

Systemtic Name: methyl (3S,3aS,6aR)-3,6,6-trimethyl-5-oxidanylidene-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate Openeye Name: methyl (3S,3aS,6aR)-3,6,6-trimethyl-5-oxo-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate CAS Name: (3S,3aS,6aR)-3,6,6-trimethyl-5-oxo-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aS,6aR)-3,6,6-trimethyl-5-oxo-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate Traditional Name: (3S,3aS,6aR)-5-keto-3,6,6-trimethyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C1(CC(=O)C2(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-8-5-6-9-12(2,3)10(14)7-13(8,9)11(15)16-4/h8-9H,5-7H2,1-4H3/t8-,9+,13-/m0/s1