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W4X

Summary
Name:2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:C22 H15 N O5
Formal charge:0
Formula weight:373.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28)
InChIKeyInChI1.06WKTMYKMXGIXMJJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4
SMILESCACTVS3.385OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(c(c4)O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(c(c4)O)O)C(=O)C(=O)O

248636

PDB entries from 2026-02-04

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