ISDA: 8VCW

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: Q46

IUPAC Name: Fe4 H S5

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 H S5

Molecular weight: 384.713

Hydrogen Bond Acceptor: 1

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 9

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/4Fe.H2S.4S/h;;;;1H2;;;;/q;;;+1;;4*+1/p-1
InChIKey	InChI	1.03	IBBAXWHZAAYJDG-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24
SMILES	CACTVS	3.385	S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25
SMILES	OpenEye OEToolkits	2.0.6	S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25