(5Z,8Z,12E)-11-oxidanyl-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid

Systemtic Name: (5Z,8Z,12E)-11-oxidanyl-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid Openeye Name: (5Z,8Z,12E)-11-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid CAS Name: (5Z,8Z,12E)-11-hydroxy-13-(3-pentyl-2-oxiranyl)trideca-5,8,12-trienoic acid IUPAC Name: (5Z,8Z,12E)-11-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid Traditional Name: (5Z,8Z,12E)-13-(3-amyloxiran-2-yl)-11-hydroxy-trideca-5,8,12-trienoic acid Formula: C20H32O4 MolecularWeight: 336.46568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)C=CC(CC=CCC=CCCCC(=O)O)O

Isomeric SMILES

CCCCCC1C(O1)/C=C/C(C/C=C\C/C=C\CCCC(=O)O)O

InChI

InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+