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

Systemtic Name: (3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one Openeye Name: (3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one CAS Name: (3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one IUPAC Name: (3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one Traditional Name: (3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one Formula: C12H18O MolecularWeight: 178.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(CCC(=O)CC12)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18O/c1-8-3-5-10(13)7-12-9(2)4-6-11(8)12/h9,12H,3-7H2,1-2H3/t9-,12+/m0/s1