E4L

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Summary

Name:ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
Synonyms:ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
Formula:C18 H26 O5
Formal charge:0
Molecular weight:322.396 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
InChIKeyInChI1.03UVVWQQKSNZLUQA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
SMILESCACTVS3.385CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC
170172
PDB entries from 2020-10-21