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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(CC=CCCCCCCCC(=O)O)OO

Isomeric SMILES

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

InChI

InChI=1S/C18H32O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,11-12,14,17,21H,2-8,10,13,15-16H2,1H3,(H,19,20)/b12-9-,14-11+