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Tetrathioaspirochlorine

  • Formula: C12H9ClN2O5S4

  • Molecular weight: 424.90

  • Smiles: CON1C(=O)C2NC(=O)C13C(C4=CC(=C(C=C4O3)O)Cl)SSSS2

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Tetrathioaspirochlorine

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Tetrathioaspirochlorine

  • First synonym: Tetrathioaspirochlorine

  • Synonyms: Tetrathioaspirochlorine,CHEMBL512142

Identifiers / External links

Structure

  • Smiles: CON1C(=O)C2NC(=O)C13C(C4=CC(=C(C=C4O3)O)Cl)SSSS2

  • Isomeric smiles: CON1C(=O)C2NC(=O)[C@]13[C@H](C4=CC(=C(C=C4O3)O)Cl)SSSS2

  • Inchi: InChI=1S/C12H9ClN2O5S4/c1-19-15-10(17)9-14-11(18)12(15)8(21-23-24-22-9)4-2-5(13)6(16)3-7(4)20-12/h2-3,8-9,16H,1H3,(H,14,18)/t8-,9?,12+/m0/s1

  • Inchikey: BYQXYZWYGWKZOQ-PFCYTDGNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H9ClN2O5S4

  • Molecular weight: 424.90

  • Monoisotopic mass: 423.9082838

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