[(5R,8S,8aS)-3,8-dimethyl-2-oxidanylidene-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl] ethanoate

Systemtic Name: [(5R,8S,8aS)-3,8-dimethyl-2-oxidanylidene-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl] ethanoate Openeye Name: [(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl] acetate CAS Name: acetic acid [(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl] ester IUPAC Name: [(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl] acetate Traditional Name: acetic acid [(5R,8S,8aS)-2-keto-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl] ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-8-4-5-11(17-10(3)15)6-13-9(2)14(16)7-12(8)13/h8,11-12H,4-7H2,1-3H3/t8-,11+,12-/m0/s1