Structural Complex
Chemical ID: VQ8
IUPAC Name: hybrid cluster
Formal Charge: ?
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: [S-2]1[Fe][SH-2][Fe]1
InChI: InChI=1S/2Fe.HS.S/h;;1H;/q;;2*-2
InChI Key: FFLRLVOQRRFLQH-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: Fe4 O3 S2
Molecular weight: 335.508
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 0
Rotatable Bonds: 1
Heavy Atoms: 9
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/4Fe.3O.2S
InChIKey InChI 1.06 DEAINXNPDRNZAH-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 O1[Fe]O[Fe]2O[Fe](S[Fe]1)S2
SMILES CACTVS 3.385 O1[Fe]O[Fe]2O[Fe](S[Fe]1)S2
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 O1[Fe]O[Fe]2S[Fe]3[S]2[Fe]1O3
SMILES OpenEye OEToolkits 2.0.7 O1[Fe]O[Fe]2S[Fe]3[S]2[Fe]1O3
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