6ZJ

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	bis(2-hydroxypropane-1,2,3-tricarboxylato-kappa~3~O~1~,O~2~,O~3~)iron
OpenEye OEToolkits	3.1.0.0	5,5'-bis(oxidanyl)-1,1'-spirobi[2,8,9-trioxa-1$l^{6}-ferrabicyclo[3.3.2]decane]-3,3',7,7',10,10'-hexone

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1CC2(O)CC(=O)O[Fe]34(OC(=O)CC(O)(CC(=O)O4)C(=O)O3)(O1)OC2=O
InChI	InChI	1.06	InChI=1S/2C6H8O7.Fe/c27-3(8)1-6(13,5(11)12)2-4(9)10;/h213H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+6/p-6
InChIKey	InChI	1.06	YCCUWICGCBVPEB-UHFFFAOYSA-H
SMILES_CANONICAL	CACTVS	3.385	OC12CC(=O)O[Fe]34(OC(=O)C1)(OC(=O)CC(O)(CC(=O)O3)C(=O)O4)OC2=O
SMILES	CACTVS	3.385	OC12CC(=O)O[Fe]34(OC(=O)C1)(OC(=O)CC(O)(CC(=O)O3)C(=O)O4)OC2=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O
SMILES	OpenEye OEToolkits	3.1.0.0	C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O