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O9Z

Summary
Name:2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:C15 H9 F O4
Formal charge:0
Formula weight:272.228 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
InChIKeyInChI1.03XSYORHATJHJUAA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
SMILESCACTVS3.385Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F

222624

数据于2024-07-17公开中

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