methyl (5Z,10E,14Z)-12-oxidanylicosa-5,10,14-trien-8-ynoate

Systemtic Name: methyl (5Z,10E,14Z)-12-oxidanylicosa-5,10,14-trien-8-ynoate Openeye Name: methyl (5Z,10E,14Z)-12-hydroxyicosa-5,10,14-trien-8-ynoate CAS Name: (5Z,10E,14Z)-12-hydroxyeicosa-5,10,14-trien-8-ynoic acid methyl ester IUPAC Name: methyl (5Z,10E,14Z)-12-hydroxyicosa-5,10,14-trien-8-ynoate Traditional Name: (5Z,10E,14Z)-12-hydroxyeicosa-5,10,14-trien-8-ynoic acid methyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC#CCC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCC/C=C\CC(/C=C/C#CC/C=C\CCCC(=O)OC)O

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-11-14-17-20(22)18-15-12-9-7-8-10-13-16-19-21(23)24-2/h8,10-11,14-15,18,20,22H,3-7,13,16-17,19H2,1-2H3/b10-8-,14-11-,18-15+