Structural Complex
Chemical ID: 0KA
IUPAC Name: SILVER/IRON/SULFUR CLUSTER
Formal Charge: ?
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: [S-2]12[Fe]3[S-2]4[Fe]1[S-2]1[Fe]2[S-2]3[Ag+]41
InChI: InChI=1S/Ag.3Fe.4S/q+1;;;;4*-2
InChI Key: XREJYCFIFVALAL-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: Ag Fe3 S4
Molecular weight: 403.663
Hydrogen Bond Acceptor: 0
Hydrogen Bond Donor: 0
Rotatable Bonds: 0
Heavy Atoms: 8
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/Ag.3Fe.4S
InChIKey InChI 1.03 FVQUTMRPEYETPT-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 S1[Fe]S[Fe]1.S2[Fe]S[Ag]2
SMILES CACTVS 3.385 S1[Fe]S[Fe]1.S2[Fe]S[Ag]2
SMILES_CANONICAL OpenEye OEToolkits 1.9.2 [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45
SMILES OpenEye OEToolkits 1.9.2 [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45
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