ISDA: 5FEZ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: SFS

IUPAC Name: Fe4-Se4 cluster

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [Fe]12[Se-2]3[Fe]4[Se-2]1[Fe]1[Se-2]2[Fe]3[Se-2]41

InChI: InChI=1S/4Fe.4Se/q;;;;4*-2

InChI Key: YILRIFUTPGKKBH-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Fe4 Se4

Molecular weight: 539.220

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/4Fe.4HSe/h;;;;4*1H
InChIKey	InChI	1.03	HSQOKLBIIKAQNG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Fe]1[Se][Fe][Se]1.[Fe]2[Se][Fe][Se]2
SMILES	CACTVS	3.385	[Fe]1[Se][Fe][Se]1.[Fe]2[Se][Fe][Se]2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45
SMILES	OpenEye OEToolkits	1.9.2	[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45