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Summary
Name:2,3-bis(benzyloxy)benzoic acid
Formula:C21 H18 O4
Formal charge:0
Formula weight:334.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3-bis(benzyloxy)benzoic acid
OpenEye OEToolkits2.0.72,3-bis(phenylmethoxy)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI1.06InChI=1S/C21H18O4/c22-21(23)18-12-7-13-19(24-14-16-8-3-1-4-9-16)20(18)25-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23)
InChIKeyInChI1.06GYEYPHBTKAEWHH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(OCc2ccccc2)c1OCc3ccccc3
SMILESCACTVS3.385OC(=O)c1cccc(OCc2ccccc2)c1OCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cccc(c2OCc3ccccc3)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2cccc(c2OCc3ccccc3)C(=O)O

223532

PDB entries from 2024-08-07

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