Chem
J-GLOBAL ID：201807020939291890   Nikkaji number：J3.731.099I

KMD6

KMD6
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： C20H13NO4S3
Molecular formula furigana： C20-H13-N-O4-S3
Molecular weight： 427.510
InChI： InChI=1S/C20H13NO4S3/c22-19-18(27-20(26)21-19)11-13-5-8-16(9-6-13)25-28(23,24)17-10-7-14-3-1-2-4-15(14)12-17/h1-12H,(H,21,22,26)
InChI key： KPUFSNNHTLPDAU-UHFFFAOYSA-N
SMILES： S(=O)(=O)(c1cc2c(cc1)cccc2)Oc1ccc(cc1)C=C1C(=O)NC(=S)S1
Systematic name  (2)：
  • 4-[(4-オキソ-2-スルファニリデン-1,3-チアゾリジン-5-イリデン)メチル]フェニルナフタレン-2-スルホナート
  • 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl naphthalene-2-sulfonate
Other name (1)：
  • KMD6
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