(9E,12E)-3-(dioxidanyl)octadeca-9,12-dienoic acid

Systemtic Name: (9E,12E)-3-(dioxidanyl)octadeca-9,12-dienoic acid Openeye Name: (9E,12E)-3-hydroperoxyoctadeca-9,12-dienoic acid CAS Name: (9E,12E)-3-hydroperoxyoctadeca-9,12-dienoic acid IUPAC Name: (9E,12E)-3-hydroperoxyoctadeca-9,12-dienoic acid Traditional Name: (9E,12E)-3-hydroperoxyoctadeca-9,12-dienoic acid Formula: C18H32O4 MolecularWeight: 312.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCC(CC(=O)O)OO

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCC(CC(=O)O)OO

InChI

InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(22-21)16-18(19)20/h6-7,9-10,17,21H,2-5,8,11-16H2,1H3,(H,19,20)/b7-6+,10-9+