PXJ

N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)

Created:	2015-06-23
Last modified:	2016-07-06

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1 entries where PXJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	12

2D diagram of PXJ

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Chemical Component Summary
Name	N,N'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)
Systematic Name (OpenEye OEToolkits)	N-[6-[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexyl]-2,3-bis(oxidanyl)benzamide
Formula	C₂₀ H₂₄ N₂ O₆
Molecular Weight	388.414
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O
Canonical SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(O)c2O)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O
InChI	InChI	1.03	InChI=1S/C20H24N2O6/c23-15-9-5-7-13(17(15)25)19(27)21-11-3-1-2-4-12-22-20(28)14-8-6-10-16(24)18(14)26/h5-10,23-26H,1-4,11-12H2,(H,21,27)(H,22,28)
InChIKey	InChI	1.03	JWUBPLNIABBTRS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	194529

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