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F3U

Summary
Name:4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid
Formula:C21 H12 O6
Formal charge:0
Formula weight:360.316 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methanoyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H12O6/c22-10-11-1-4-14(21(25)26)17(7-11)20-15-5-2-12(23)8-18(15)27-19-9-13(24)3-6-16(19)20/h1-10,23H,(H,25,26)
InChIKeyInChI1.06CYKLSLGBUUWGRE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc(C=O)cc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
SMILESCACTVS3.385OC(=O)c1ccc(C=O)cc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O

222415

PDB entries from 2024-07-10

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