Chem
J-GLOBAL ID:200907000314545915   Nikkaji number:J1.453.192K

(4R,5S)-2-Methyl-4-(methylsulfonyl)-5-(trifluoroacetyl)-1-cyclohexene

(4R,5S)-2-メチル-4-(メチルスルホニル)-5-(トリフルオロアセチル)-1-シクロヘキセン
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: C10H13F3O3S
Molecular formula furigana: C10-H13-F3-O3-S
Molecular weight: 270.270
InChI: InChI=1S/C10H13F3O3S/c1-6-3-4-7(9(14)10(11,12)13)8(5-6)17(2,15)16/h3,7-8H,4-5H2,1-2H3/t7-,8-/m1/s1
InChI key: HDRQVBWCAQZLQJ-HTQZYQBOSA-N
SMILES: CC1=CC[C@H]([C@@H](C1)S(=O)(=O)C)C(=O)C(F)(F)F
Systematic name  (3):
  • (4R,5S)-2-メチル-4-(メチルスルホニル)-5-(トリフルオロアセチル)-1-シクロヘキセン
  • 2,2,2-トリフルオロ-1-[(1S,6R)-6-メタンスルホニル-4-メチルシクロヘキサ-3-エン-1-イル]エタン-1-オン
  • 2,2,2-trifluoro-1-[(1S,6R)-6-methanesulfonyl-4-methylcyclohex-3-en-1-yl]ethan-1-one
Other name (1):
  • (4R,5S)-2-Methyl-4-(methylsulfonyl)-5-(trifluoroacetyl)-1-cyclohexene
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