methyl (1S,3aR,6aR)-1-ethanoyl-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylate

Systemtic Name: methyl (1S,3aR,6aR)-1-ethanoyl-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylate Openeye Name: methyl (1S,3aR,6aR)-1-acetyl-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylate CAS Name: (1S,3aR,6aR)-1-acetyl-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aR,6aR)-1-acetyl-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylate Traditional Name: (1S,3aR,6aR)-1-acetyl-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalene-2-carboxylic acid methyl ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2CC(CC2C=C1C(=O)OC)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-9(16)15(4)11(13(17)18-5)6-10-7-14(2,3)8-12(10)15/h6,10,12H,7-8H2,1-5H3/t10-,12+,15+/m0/s1