(3aS,4S,6aS)-4-methyl-6a-(2-oxidanylidenebutyl)-2,3,3a,4,5,6-hexahydropentalen-1-one

Systemtic Name: (3aS,4S,6aS)-4-methyl-6a-(2-oxidanylidenebutyl)-2,3,3a,4,5,6-hexahydropentalen-1-one Openeye Name: (3aS,4S,6aS)-4-methyl-6a-(2-oxobutyl)-2,3,3a,4,5,6-hexahydropentalen-1-one CAS Name: (3aS,4S,6aS)-4-methyl-6a-(2-oxobutyl)-2,3,3a,4,5,6-hexahydropentalen-1-one IUPAC Name: (3aS,4S,6aS)-4-methyl-6a-(2-oxobutyl)-2,3,3a,4,5,6-hexahydropentalen-1-one Traditional Name: (3aS,4S,6aS)-6a-(2-ketobutyl)-4-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC12CCC(C1CCC2=O)C

Isomeric SMILES

CCC(=O)C[C@@]12CC[C@@H]([C@@H]1CCC2=O)C

InChI

InChI=1S/C13H20O2/c1-3-10(14)8-13-7-6-9(2)11(13)4-5-12(13)15/h9,11H,3-8H2,1-2H3/t9-,11-,13-/m0/s1