(9Z,12E)-13-(dioxidanyl)octadeca-9,12-dienoic acid

Systemtic Name: (9Z,12E)-13-(dioxidanyl)octadeca-9,12-dienoic acid Openeye Name: (9Z,12E)-13-hydroperoxyoctadeca-9,12-dienoic acid CAS Name: (9Z,12E)-13-hydroperoxyoctadeca-9,12-dienoic acid IUPAC Name: (9Z,12E)-13-hydroperoxyoctadeca-9,12-dienoic acid Traditional Name: (9Z,12E)-13-hydroperoxyoctadeca-9,12-dienoic acid Formula: C18H32O4 MolecularWeight: 312.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CCC=CCCCCCCCC(=O)O)OO

Isomeric SMILES

CCCCC/C(=C\C/C=C\CCCCCCCC(=O)O)/OO

InChI

InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,15,21H,2-6,8,10-14,16H2,1H3,(H,19,20)/b9-7-,17-15+