ISDA: 1FXR

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: SF4

IUPAC Name: 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[Fe]41

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: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/4Fe.4S
InChIKey	InChI	1.06	LJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
SMILES	OpenEye OEToolkits	2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45

Chemical Database Mapping

Database	Reference ID
ChEBI	CHEBI:33725