[1-(dioxidanyl)-3-oxidanyl-propan-2-yl] (9E,11E,13E)-octadeca-9,11,13-trienoate

Systemtic Name: [1-(dioxidanyl)-3-oxidanyl-propan-2-yl] (9E,11E,13E)-octadeca-9,11,13-trienoate Openeye Name: [1-(hydroperoxymethyl)-2-hydroxy-ethyl] (9E,11E,13E)-octadeca-9,11,13-trienoate CAS Name: (9E,11E,13E)-octadeca-9,11,13-trienoic acid (1-hydroperoxy-3-hydroxypropan-2-yl) ester IUPAC Name: (1-hydroperoxy-3-hydroxypropan-2-yl) (9E,11E,13E)-octadeca-9,11,13-trienoate Traditional Name: (9E,11E,13E)-octadeca-9,11,13-trienoic acid [1-(hydroperoxymethyl)-2-hydroxy-ethyl] ester Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC=CC=CCCCCCCCC(=O)OC(CO)COO

Isomeric SMILES

CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC(CO)COO

InChI

InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)26-20(18-22)19-25-24/h5-10,20,22,24H,2-4,11-19H2,1H3/b6-5+,8-7+,10-9+