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Summary

Name:	(2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid
Formula:	C17 H14 Cl3 F O3
Formal charge:	0
Formula weight:	391.649 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid
OpenEye OEToolkits	2.0.7	(2~{S})-4-(4-chloranyl-3-fluoranyl-phenoxy)-2-(3,4-dichlorophenyl)-2-methyl-butanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1Cl)C(C)(CCOc1ccc(Cl)c(F)c1)C(=O)O
InChI	InChI	1.06	InChI=1S/C17H14Cl3FO3/c1-17(16(22)23,10-2-4-12(18)14(20)8-10)6-7-24-11-3-5-13(19)15(21)9-11/h2-5,8-9H,6-7H2,1H3,(H,22,23)/t17-/m0/s1
InChIKey	InChI	1.06	XLWZOGIPIGJOQQ-KRWDZBQOSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@](CCOc1ccc(Cl)c(F)c1)(C(O)=O)c2ccc(Cl)c(Cl)c2
SMILES	CACTVS	3.385	C[C](CCOc1ccc(Cl)c(F)c1)(C(O)=O)c2ccc(Cl)c(Cl)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@](CCOc1ccc(c(c1)F)Cl)(c2ccc(c(c2)Cl)Cl)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(CCOc1ccc(c(c1)F)Cl)(c2ccc(c(c2)Cl)Cl)C(=O)O

223532

數據於2024-08-07公開中

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