ISDA: 7B9A

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: T2N

IUPAC Name: 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane

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 O2 S2

Molecular weight: 319.509

Hydrogen Bond Acceptor: 1

Hydrogen Bond Donor: 0

Rotatable Bonds: 1

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/4Fe.2O.2S/q;;;;;;;+1
InChIKey	InChI	1.03	ZZXANUDJVNRRAL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O1[Fe]O[Fe]2S[Fe][S@+]2[Fe]1
SMILES	CACTVS	3.385	O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1
SMILES	OpenEye OEToolkits	2.0.7	O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1