(9E,12E)-20-(oxiran-2-ylmethoxycarbonyl)henicosa-9,12,20-trienoic acid

Systemtic Name: (9E,12E)-20-(oxiran-2-ylmethoxycarbonyl)henicosa-9,12,20-trienoic acid Openeye Name: (9E,12E)-20-(oxiran-2-ylmethoxycarbonyl)henicosa-9,12,20-trienoic acid CAS Name: (9E,12E)-20-[2-oxiranylmethoxy(oxo)methyl]heneicosa-9,12,20-trienoic acid IUPAC Name: (9E,12E)-20-(oxiran-2-ylmethoxycarbonyl)henicosa-9,12,20-trienoic acid Traditional Name: (9E,12E)-20-glycidoxycarbonylheneicosa-9,12,20-trienoic acid Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCCCCC=CCC=CCCCCCCCC(=O)O)C(=O)OCC1CO1

Isomeric SMILES

C=C(CCCCCC/C=C/C/C=C/CCCCCCCC(=O)O)C(=O)OCC1CO1

InChI

InChI=1S/C25H40O5/c1-22(25(28)30-21-23-20-29-23)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-24(26)27/h3-6,23H,1-2,7-21H2,(H,26,27)/b5-3+,6-4+