GDE

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Summary

Name:3,4,5-trihydroxybenzoic acid
Synonyms:Gallate
Formula:C7 H6 O5
Formal charge:0
Molecular weight:170.12 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,4,5-trihydroxybenzoic acid
OpenEye OEToolkits1.7.23,4,5-tris(oxidanyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(O)c(O)c(O)c1
InChIInChI1.03InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKeyInChI1.03LNTHITQWFMADLM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1cc(O)c(O)c(O)c1
SMILESCACTVS3.370OC(=O)c1cc(O)c(O)c(O)c1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1c(cc(c(c1O)O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.2c1c(cc(c(c1O)O)O)C(=O)O