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Cu:pyrimidine-2,6-bis(thiocarboxylate) radical

MNXM11208 is deprecated and here replaced by MNXM1106172
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106172 Image of MNXM1106172
referencemetacycM:CPD-8209
formulaC7H4Cl2CuNO2S2
global charge0
mol weight332.7
InChIKeySDHVWTASABIBBJ-UHFFFAOYSA-K
InChIInChI=1S/C7H5NO2S2.2ClH.Cu/c9-6(11)4-2-1-3-5(8-4)7(10)12;;;/h1-4H,(H,10,12);2*1H;/q-1;;;+4/p-3
SMILESO=C1S[Cu](Cl)(Cl)N2C1=CC=CC2C(=O)[S]
MNX internals
InChI (mnx)InChI=1/C7H5NO2S2.2ClH.Cu/c9-6(11)4-2-1-3-5(8-4)7(10)12;;;/h1-4H,(H,10,12);2*1H;/q-1;;;+4/t4?;;; Image of MNXM1106172
SMILES (mnx)[CH:1]1=[CH:2][CH:4]([C:6](=[O:9])[S:11])[N-:8][C:5]([C:7](=[O:10])[SH:12])=[CH:3]1.[ClH:13].[ClH:14].[Cu+4:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-8209
metacycM:CPD-8209
SDHVWTASABIBBJ-UHFFFAOYSA-K 		Cu:pyrimidine-2,6-bis(thiocarboxylate) radical