Chem
J-GLOBAL ID：200907045293229868   Nikkaji number：J203.828E

Thiotropocin

チオトロポシン
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： C8H4O3S2
Molecular formula furigana： C8-H4-O3-S2
Molecular weight： 212.240
InChI： InChI=1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,9H
InChI key： DQGOJKVIMNNGAH-UHFFFAOYSA-N
SMILES： Oc1cccc(=S)c2soc(=O)c12
Systematic name  (3)：
  • 4-ヒドロキシ-8-チオキソシクロヘプタ[c][1,2]オキサチオール-3(8H)-オン
  • 4-ヒドロキシ-8-スルファニリデン-3H,8H-シクロヘプタ[c][1,2]オキサチオール-3-オン
  • 4-hydroxy-8-sulfanylidene-3H,8H-cyclohepta[c][1,2]oxathiol-3-one
Other name (3)：
  • Thiotropocin
  • チオトロポシン
  • 4-Hydroxy-8-thioxocyclohept[c][1,2]oxathiol-3(8H)-one
CAS registry number： 89550-93-6
KEGG COMPOUND： C12105
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