Chem
J-GLOBAL ID:200907049594526839   Nikkaji number:J1.856.825J

3β-(Phenylsulfonylmethyl)-6α-methylcyclohexanone

3β-(フェニルスルホニルメチル)-6α-メチルシクロヘキサノン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C14H18O3S
Molecular formula furigana: C14-H18-O3-S
Molecular weight: 266.360
InChI: InChI=1S/C14H18O3S/c1-11-7-8-12(9-14(11)15)10-18(16,17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t11-,12-/m0/s1
InChI key: IYYJSGPXCGHOEF-RYUDHWBXSA-N
SMILES: C[C@H]1CC[C@H](CS(=O)(=O)c2ccccc2)CC1=O
Systematic name  (3):
  • 3β-(フェニルスルホニルメチル)-6α-メチルシクロヘキサノン
  • (2S,5S)-5-[(ベンゼンスルホニル)メチル]-2-メチルシクロヘキサン-1-オン
  • (2S,5S)-5-[(benzenesulfonyl)methyl]-2-methylcyclohexan-1-one
Other name (1):
  • 3β-(Phenylsulfonylmethyl)-6α-methylcyclohexanone
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