SSY

~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide

Created:	2020-03-11
Last modified:	2020-07-22

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2 entries where SSY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of SSY

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Chemical Component Summary
Name	~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
Formula	C₁₀ H₈ F₃ N O₂
Molecular Weight	231.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1cccc(NC(=O)C(F)(F)F)c1
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1cccc(c1)NC(=O)C(F)(F)F
Canonical SMILES	CACTVS	3.385	CC(=O)c1cccc(NC(=O)C(F)(F)F)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1cccc(c1)NC(=O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKey	InChI	1.03	QJIHIZOVLAWHFM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	673706
CCDC/CSD	ZEQRAQ

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