ISDA: 6O7R

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: CLF

IUPAC Name: FE(8)-S(7) CLUSTER

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [S-2]12[Fe]3[S-2]4[Fe]1<-[S-2]156(->[Fe]2[S-2]3[Fe]<-14)->[Fe]1[S-2]2[Fe]3[S-2]1[Fe]<-5[S-2]3[Fe]<-62

InChI: InChI=1S/8Fe.7S/q;;;;;;;;7*-2

InChI Key: WCZCKJBLLMYEJL-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Fe8 S7

Molecular weight: 671.215

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/8Fe.7S
InChIKey	InChI	1.06	JKVMXLBGZBULKV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
SMILES	CACTVS	3.385	S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
SMILES	OpenEye OEToolkits	2.0.7	[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71