9JT

N-phenyl-2-selanylbenzamide

Created:	2017-05-26
Last modified:	2024-09-27

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5 entries where 9JT is found as a standalone ligand10 entries where 9JT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	12

2D diagram of 9JT

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Chemical Component Summary
Name	N-phenyl-2-selanylbenzamide
Synonyms	~{N}-phenyl-2-selanyl-benzamide; Ebselen, bound form
Systematic Name (OpenEye OEToolkits)	~{N}-phenyl-2-selanyl-benzamide
Formula	C₁₃ H₁₁ N O Se
Molecular Weight	276.193
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1)c1ccccc1[SeH]
SMILES	CACTVS	3.385	[SeH]c1ccccc1C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)c2ccccc2[SeH]
Canonical SMILES	CACTVS	3.385	[SeH]c1ccccc1C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)c2ccccc2[SeH]
InChI	InChI	1.06	InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15)
InChIKey	InChI	1.06	PVPUYGNPKBMXGO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126410

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