(3aS,6aR)-5-ethanoyl-4-ethyl-3a-oxidanyl-2,3,6,6a-tetrahydropentalen-1-one

Systemtic Name: (3aS,6aR)-5-ethanoyl-4-ethyl-3a-oxidanyl-2,3,6,6a-tetrahydropentalen-1-one Openeye Name: (3aS,6aR)-5-acetyl-4-ethyl-3a-hydroxy-2,3,6,6a-tetrahydropentalen-1-one CAS Name: (3aS,6aR)-5-acetyl-4-ethyl-3a-hydroxy-2,3,6,6a-tetrahydropentalen-1-one IUPAC Name: (3aS,6aR)-5-acetyl-4-ethyl-3a-hydroxy-2,3,6,6a-tetrahydropentalen-1-one Traditional Name: (3aS,6aR)-5-acetyl-4-ethyl-3a-hydroxy-2,3,6,6a-tetrahydropentalen-1-one Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC2C1(CCC2=O)O)C(=O)C

Isomeric SMILES

CCC1=C(C[C@@H]2[C@]1(CCC2=O)O)C(=O)C

InChI

InChI=1S/C12H16O3/c1-3-9-8(7(2)13)6-10-11(14)4-5-12(9,10)15/h10,15H,3-6H2,1-2H3/t10-,12+/m0/s1