Chem
J-GLOBAL ID：200907013519205194   Nikkaji number：J1.724.859F

(3S)-3α,6α-Dimethoxycyclohexene-4,4,5,5-tetracarbonitrile

(3S)-3α,6α-ジメトキシシクロヘキセン-4,4,5,5-テトラカルボニトリル
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： C12H10N4O2
Molecular formula furigana： C12-H10-N4-O2
Molecular weight： 242.238
InChI： InChI=1S/C12H10N4O2/c1-17-9-3-4-10(18-2)12(7-15,8-16)11(9,5-13)6-14/h3-4,9-10H,1-2H3/t9-,10+
InChI key： UFUKEGQCHNANOJ-AOOOYVTPSA-N
SMILES： CO[C@H]1C=C[C@@H](OC)C(C#N)(C#N)C1(C#N)C#N
Systematic name  (4)：
  • (3S)-3α,6α-ジメトキシシクロヘキセン-4,4,5,5-テトラカルボニトリル
  • (3R,6S)-3,6-ジメトキシ-4-シクロヘキセン-1,1,2,2-テトラカルボニトリル
  • (3R,6S)-3,6-ジメトキシシクロヘキサ-4-エン-1,1,2,2-テトラカルボニトリル
  • (3R,6S)-3,6-dimethoxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
Other name (2)：
  • (3S)-3α,6α-Dimethoxycyclohexene-4,4,5,5-tetracarbonitrile
  • (3R,6S)-3,6-Dimethoxy-4-cyclohexene-1,1,2,2-tetracarbonitrile
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