(5R,8S,8aS)-5-ethanoyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one

Systemtic Name: (5R,8S,8aS)-5-ethanoyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one Openeye Name: (5R,8S,8aS)-5-acetyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one CAS Name: (5R,8S,8aS)-5-acetyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one IUPAC Name: (5R,8S,8aS)-5-acetyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one Traditional Name: (5R,8S,8aS)-5-acetyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC2=C(C(=O)CC12)C)C(=O)C

Isomeric SMILES

C[C@H]1CC[C@H](CC2=C(C(=O)C[C@@H]12)C)C(=O)C

InChI

InChI=1S/C14H20O2/c1-8-4-5-11(10(3)15)6-13-9(2)14(16)7-12(8)13/h8,11-12H,4-7H2,1-3H3/t8-,11+,12-/m0/s1