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Summary

Name:Purpurin
Formula:C14 H8 O5
Formal charge:0
Molecular weight:256.21 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,2,4-trihydroxyanthracene-9,10-dione
OpenEye OEToolkits2.0.61,2,4-tris(oxidanyl)anthracene-9,10-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
InChIInChI1.03InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKeyInChI1.03BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
SMILESCACTVS3.385Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O