ISDA: 6Z8J

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 6ML

IUPAC Name: oxygen-damaged SF4

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [S-2]1[Fe][S-2]2[Fe][S-2][Fe]12

InChI: InChI=1S/3Fe.3S/q;;;3*-2

InChI Key: AJECJNIQYNMHJX-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Fe4 O2 S4

Molecular weight: 383.639

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/4Fe.2O.H2S.3S/h;;;;;;1H2;;;/q;;;+1;;;;;;/p-1
InChIKey	InChI	1.03	DCVJTSMMUVGUAG-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2
SMILES	CACTVS	3.385	S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]
SMILES	OpenEye OEToolkits	2.0.5	O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]