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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-9-6-7-12-14(3,4)11(10(2)16)8-15(9,12)13(17)18-5/h8-9,12H,6-7H2,1-5H3/t9-,12+,15-/m0/s1