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Aspirochlorine

Properties

Image

Occurences in reactions

MNX_ID

MNXM102881

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₂H₉ClN₂O₅S₂

charge

mass

359.96414

reference

InChIKey

XMFSSFONDVHNFO-AUTRQRHGSA-N

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

SMILES

CON1C(=O)[C@H]2NC(=O)[C@]13Oc1cc(O)c(Cl)cc1[C@@H]3SS2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68861 chebi:68861	Aspirochlorine (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