YIH

5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene

Created:	2015-11-15
Last modified:	2016-03-02

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1 entries where YIH is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of YIH

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Chemical Component Summary
Name	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
Systematic Name (OpenEye OEToolkits)	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
Formula	C₈ H₅ Cl₂ N₄ O
Molecular Weight	244.057
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(OCc2n[n-]nn2)cc1Cl
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(OCc2n[n-]nn2)cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl
InChI	InChI	1.03	InChI=1S/C8H5Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2/q-1
InChIKey	InChI	1.03	XRNCVRGDXIBVNS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137350191

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.