JZD

2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid

Created:	2009-08-19
Last modified:	2011-06-04

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1 entries where JZD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	87
Chiral Atom Count	0
Bond Count	90
Aromatic Bond Count	24

2D diagram of JZD

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Chemical Component Summary
Name	2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
Systematic Name (OpenEye OEToolkits)	2-[[4-[11-[4-[(2-carboxyphenyl)amino]-2,6-dichloro-phenoxy]undecoxy]-3,5-dichloro-phenyl]amino]benzoic acid
Formula	C₃₇ H₃₈ Cl₄ N₂ O₆
Molecular Weight	748.519
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	Clc3cc(cc(Cl)c3OCCCCCCCCCCCOc2c(Cl)cc(Nc1ccccc1C(=O)O)cc2Cl)Nc4ccccc4C(=O)O
SMILES	CACTVS	3.352	OC(=O)c1ccccc1Nc2cc(Cl)c(OCCCCCCCCCCCOc3c(Cl)cc(Nc4ccccc4C(O)=O)cc3Cl)c(Cl)c2
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl
Canonical SMILES	CACTVS	3.352	OC(=O)c1ccccc1Nc2cc(Cl)c(OCCCCCCCCCCCOc3c(Cl)cc(Nc4ccccc4C(O)=O)cc3Cl)c(Cl)c2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl
InChI	InChI	1.03	InChI=1S/C37H38Cl4N2O6/c38-28-20-24(42-32-16-10-8-14-26(32)36(44)45)21-29(39)34(28)48-18-12-6-4-2-1-3-5-7-13-19-49-35-30(40)22-25(23-31(35)41)43-33-17-11-9-15-27(33)37(46)47/h8-11,14-17,20-23,42-43H,1-7,12-13,18-19H2,(H,44,45)(H,46,47)
InChIKey	InChI	1.03	GZMGFINVSIBSLS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	25254945

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