F6Z

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Summary

Name:3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID
Formula:C21 H12 O7
Formal charge:0
Molecular weight:376.316 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.043',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
OpenEye OEToolkits1.6.13',6'-dihydroxy-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34
SMILES_CANONICALCACTVS3.352OC(=O)c1ccc2c(c1)C(=O)O[C@@]23c4ccc(O)cc4Oc5cc(O)ccc35
SMILESCACTVS3.352OC(=O)c1ccc2c(c1)C(=O)O[C]23c4ccc(O)cc4Oc5cc(O)ccc35
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
SMILESOpenEye OEToolkits1.6.1c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
InChIInChI1.03InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKeyInChI1.03NJYVEMPWNAYQQN-UHFFFAOYSA-N