4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one

Systemtic Name: 4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one Openeye Name: 4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one CAS Name: 4-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]-2-butanone IUPAC Name: 4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one Traditional Name: 4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one Formula: C13H22O MolecularWeight: 194.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1CCC(=O)C)(C)C

Isomeric SMILES

CC1=CCCC([C@@H]1CCC(=O)C)(C)C

InChI

InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3/t12-/m1/s1