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VAE

Summary
Name:3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
Formula:C16 H12 O6
Formal charge:0
Formula weight:300.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
OpenEye OEToolkits1.7.62-oxidanyl-3-[(E)-3-oxidanyl-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]oxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c2cccc(O/C(C(=O)O)=C/c1ccccc1)c2O
InChIInChI1.03InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9+
InChIKeyInChI1.03GJZVTQNBNWGGSJ-UKTHLTGXSA-N
SMILES_CANONICALCACTVS3.370OC(=O)C(\Oc1cccc(C(O)=O)c1O)=C/c2ccccc2
SMILESCACTVS3.370OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O)O

223532

PDB entries from 2024-08-07

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