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65W

Summary
Name:2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
Formula:C20 H18 O3
Formal charge:0
Formula weight:306.355 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
OpenEye OEToolkits2.0.42-methyl-2-(4-naphthalen-1-ylphenoxy)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C(C)(C)Oc1ccc(cc1)c3c2ccccc2ccc3)O
InChIInChI1.03InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)
InChIKeyInChI1.03JTWKEZBNKHBDAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(O)=O
SMILESCACTVS3.385CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3
SMILESOpenEye OEToolkits2.0.4CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3

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數據於2024-07-10公開中

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