Chem
J-GLOBAL ID：201807005503159246   Nikkaji number：J3.722.079E

Garlicnin J2

ガーリッククニンJ2
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： C9H16[O-]S2[S+]
Molecular formula furigana： C9-H16-O-S3
Molecular weight： 236.410
InChI： InChI=1S/C9H16OS3/c1-3-6-11-12-9-5-4-7-13(10)8(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9+,13?/m1/s1
InChI key： FTKROIFCIONWJF-LSOTWWMFSA-N
SMILES： C[C@@H]1[C@H](CCC[S+]1[O-])SSCC=C
Systematic name  (3)：
  • (2R,3S)-1-オキシラト-2-メチル-3-(アリルジチオ)-2,3,4,5-テトラヒドロ-6H-チオピラン-1-イウム
  • (2R,3S)-2-メチル-3-(プロパ-2-エン-1-イルジスルファニル)チアン-1-イウム-1-オラート
  • (2R,3S)-2-methyl-3-(prop-2-en-1-yldisulfanyl)thian-1-ium-1-olate
Other name (3)：
  • (2R,3S)-1-Oxylato-2-methyl-3-(allyldithio)-2,3,4,5-tetrahydro-6H-thiopyran-1-ium
  • ガーリッククニンJ2
  • Garlicnin J2
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