TLH

(5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one

Created:	2013-09-19
Last modified:	2014-09-05

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1 entries where TLH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	0

2D diagram of TLH

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Chemical Component Summary
Name	(5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one
Systematic Name (OpenEye OEToolkits)	(5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one
Formula	C₁₂ H₁₁ F₃ O₃ S
Molecular Weight	292.274
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)C(=O)C=1C(=O)SC(/C=C(/C=C)C)(C=1O)C
SMILES	CACTVS	3.385	CC(C=C)=C[C]1(C)SC(=O)C(=C1O)C(=O)C(F)(F)F
SMILES	OpenEye OEToolkits	1.9.2	CC(=CC1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)C=C
Canonical SMILES	CACTVS	3.385	C\C(C=C)=C/[C@@]1(C)SC(=O)C(=C1O)C(=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.9.2	C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C
InChI	InChI	1.03	InChI=1S/C12H11F3O3S/c1-4-6(2)5-11(3)8(16)7(10(18)19-11)9(17)12(13,14)15/h4-5,16H,1H2,2-3H3/b6-5+/t11-/m1/s1
InChIKey	InChI	1.03	GYCDWYUIZVRBIM-MVIFTORASA-N

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.