ISDA: 5N5Q

Structural Complex

Chemical ID: FFE

IUPAC Name: [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Fe3 H11 O13

Molecular weight: 386.615

Hydrogen Bond Acceptor: 11

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/3Fe.11H2O.2O/h;;;11*1H2;;/q+2;+4;+5;;;;;;;;;;;;;/p-11
InChIKey	InChI	1.03	WDCOXZGBZIBJBW-UHFFFAOYSA-C
SMILES_CANONICAL	CACTVS	3.385	O[Fe@](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O
SMILES	CACTVS	3.385	O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O
SMILES	OpenEye OEToolkits	2.0.6	O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O