EJL

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Summary

Name:(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
Formula:C24 H32 O3
Formal charge:0
Molecular weight:368.509 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(9~{Z},12~{Z},15~{Z},18~{Z},21~{Z})-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyInChI1.03LHUWCJHCWHNRNX-JLNKQSITSA-N
SMILES_CANONICALCACTVS3.385CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC#CC(=O)CCCC(O)=O
SMILESCACTVS3.385CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O
SMILESOpenEye OEToolkits2.0.7CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(=O)O