ISDA: 9SW5

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 9S8

IUPAC Name: Non-cubane [4Fe-4S]-cluster

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [S-2]1[Fe][S-2]2[Fe][S-2]3[Fe][S-2][Fe@OH25]123

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

InChI Key: DGLGUOPPZXGWSK-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Fe4 S4

Molecular weight: 351.640

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	2,4$l^{3},6$l^{3},8-tetrathia-1$l^{4},3$l^{2},5$l^{2},7$l^{2}-tetraferratricyclo[4.2.0.0^{1,4}]octane

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/4Fe.4S
InChIKey	InChI	1.03	LJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	S1[Fe]S[Fe]S[Fe]S[Fe]1
SMILES	CACTVS	3.385	S1[Fe]S[Fe]S[Fe]S[Fe]1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2
SMILES	OpenEye OEToolkits	2.0.6	S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2

Chemical Database Mapping

Database	Reference ID
ChEBI	CHEBI:33725