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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotetracyclic compound > aspirochlorine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotetracyclic compound > aspirochlorine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotetracyclic compound > aspirochlorine

Preferred term

aspirochlorine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H9ClN2O5S2

has_role

inchi

  • InChI=1S/C12H9ClN2O5S2/c1-19-15-10(17)9-14-11(18)12(15)8(21-22-9)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

  • XMFSSFONDVHNFO-AUTRQRHGSA-N

mass

  • 360.79300

monoisotopicmass

  • 359.96414

smiles

  • [H][C@]12NC(=O)[C@]3(Oc4cc(O)c(Cl)cc4[C@]3([H])SS1)N(OC)C2=O

subset

  • 2_STAR

synonym RELATED

  • (1R,9S,12S)-6-Chloro-5-hydroxy-15-methoxy-2-oxa-10,11-dithia-13,15-diazatetracyclo[10.2.2.0(1,9).0(3,8)]hexadeca-3,5,7-triene-14,16-dione
  • (3S,5aR,10bS)-9-chloro-8-hydroxy-11-methoxy-3,4-dihydro-5H,10bH-5a,3-(epiminomethano)[1]benzofuro[2,3-f][1,2,4]dithiazepine-5,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68861

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