Chem
J-GLOBAL ID：200907075777872834   Nikkaji number：J843.313E

(1R,3R,5R,9S)-2-Nitro-7α-methyl-1β,2β-propano-6-oxa-8-thiatricyclo[3.3.1.13,9]decane

(1R,3R,5R,9S)-2-ニトロ-7α-メチル-1β,2β-プロパノ-6-オキサ-8-チアトリシクロ[3.3.1.13,9]デカン
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： C12H17[N+]O2[O-]S
Molecular formula furigana： C12-H17-N-O3-S
Molecular weight： 255.330
InChI： InChI=1S/C12H17NO3S/c1-7-16-10-6-8-5-9(10)12(17-7)4-2-3-11(8,12)13(14)15/h7-10H,2-6H2,1H3/t7-,8+,9-,10+,11+,12+/m0/s1
InChI key： AOWTZKCDUWSNGE-NCKSRDSBSA-N
SMILES： C[C@H]1O[C@@H]2C[C@H]3C[C@@H]2[C@@]2(CCC[C@@]32[N+](=O)[O-])S1
Systematic name  (3)：
  • (1R,3R,5R,9S)-2-ニトロ-7α-メチル-1β,2β-プロパノ-6-オキサ-8-チアトリシクロ[3.3.1.13,9]デカン
  • (1R,2R,6R,8S,10R,11S)-8-メチル-2-ニトロ-9-オキサ-7-チアテトラシクロ[8.2.1.02,6.06,11]トリデカン
  • (1R,2R,6R,8S,10R,11S)-8-methyl-2-nitro-9-oxa-7-thiatetracyclo[8.2.1.02,6.06,11]tridecane
Other name (1)：
  • (1R,3R,5R,9S)-2-Nitro-7α-methyl-1β,2β-propano-6-oxa-8-thiatricyclo[3.3.1.13,9]decane
Thsaurus map：
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