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Summary
Name:4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid
Synonyms:4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid
Formula:C20 H18 O8
Formal charge:0
Formula weight:386.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24)
InChIKeyInChI1.06TWAOZCYZGVMOKC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O
SMILESCACTVS3.385OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)O)C(=O)OCCCCOC(=O)c2ccc(cc2)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)O)C(=O)OCCCCOC(=O)c2ccc(cc2)C(=O)O

221051

PDB entries from 2024-06-12

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