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Summary

Name:PREPHENIC ACID
Formula:C10 H10 O6
Formal charge:0
Molecular weight:226.183 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
OpenEye OEToolkits1.5.04-hydroxy-1-(3-hydroxy-2,3-dioxo-propyl)cyclohexa-2,5-diene-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(=O)O)CC1(C=CC(O)C=C1)C(=O)O
SMILES_CANONICALCACTVS3.341O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O
SMILESCACTVS3.341O[CH]1C=C[C](CC(=O)C(O)=O)(C=C1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+
InChIKeyInChI1.03FPWMCUPFBRFMLH-XGAOUMNUSA-N