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Summary Geometry Related PDB entries

8FO

Summary

Name:	(2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid
Formula:	C18 H16 F4 O2
Formal charge:	0
Formula weight:	340.312 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H16F4O2/c1-3-13(17(23)24)11-6-7-14(15(8-11)18(20,21)22)12-5-4-10(2)16(19)9-12/h4-9,13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKey	InChI	1.03	IZMCUINTVDMYCG-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	CC[C@@H](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F
SMILES	CACTVS	3.385	CC[CH](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC[C@H](c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	CCC(c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O

222415

건을2024-07-10부터공개중

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