(4R,5R)-3,3,5-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohexan-1-one

Systemtic Name: (4R,5R)-3,3,5-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohexan-1-one Openeye Name: (4R,5R)-3,3,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohexanone CAS Name: (4R,5R)-3,3,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohexanone IUPAC Name: (4R,5R)-3,3,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohexan-1-one Traditional Name: (4R,5R)-4-[(E)-3-ketobut-1-enyl]-3,3,5-trimethyl-cyclohexanone Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1C=CC(=O)C)(C)C

Isomeric SMILES

C[C@@H]1CC(=O)CC([C@H]1/C=C/C(=O)C)(C)C

InChI

InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,9,12H,7-8H2,1-4H3/b6-5+/t9-,12+/m1/s1