(2E,4E)-13-(dioxidanyl)octadeca-2,4-dienoic acid

Systemtic Name: (2E,4E)-13-(dioxidanyl)octadeca-2,4-dienoic acid Openeye Name: (2E,4E)-13-hydroperoxyoctadeca-2,4-dienoic acid CAS Name: (2E,4E)-13-hydroperoxyoctadeca-2,4-dienoic acid IUPAC Name: (2E,4E)-13-hydroperoxyoctadeca-2,4-dienoic acid Traditional Name: (2E,4E)-13-hydroperoxyoctadeca-2,4-dienoic acid Formula: C18H32O4 MolecularWeight: 312.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCC=CC=CC(=O)O)OO

Isomeric SMILES

CCCCCC(CCCCCCC/C=C/C=C/C(=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/h8,10,13,16-17,21H,2-7,9,11-12,14-15H2,1H3,(H,19,20)/b10-8+,16-13+