EH6

2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid

Created:	2019-12-24
Last modified:	2020-04-15

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1 entries where EH6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

2D diagram of EH6

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Chemical Component Summary
Name	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
Formula	C₁₉ H₁₄ Cl N O₂
Molecular Weight	323.773
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O
InChI	InChI	1.03	InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)
InChIKey	InChI	1.03	TZKVOTHQTFDACW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146019236

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.