(9Z,11E,13S)-13-(dioxidanyl)-17-methoxy-17-oxidanylidene-heptadeca-9,11-dienoic acid

Systemtic Name: (9Z,11E,13S)-13-(dioxidanyl)-17-methoxy-17-oxidanylidene-heptadeca-9,11-dienoic acid Openeye Name: (9Z,11E,13S)-13-hydroperoxy-17-methoxy-17-oxo-heptadeca-9,11-dienoic acid CAS Name: (9Z,11E,13S)-13-hydroperoxy-17-methoxy-17-oxoheptadeca-9,11-dienoic acid IUPAC Name: (9Z,11E,13S)-13-hydroperoxy-17-methoxy-17-oxoheptadeca-9,11-dienoic acid Traditional Name: (9Z,11E,13S)-13-hydroperoxy-17-keto-17-methoxy-heptadeca-9,11-dienoic acid Formula: C18H30O6 MolecularWeight: 342.4272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C=CC=CCCCCCCCC(=O)O)OO

Isomeric SMILES

COC(=O)CCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO

InChI

InChI=1S/C18H30O6/c1-23-18(21)15-11-13-16(24-22)12-9-7-5-3-2-4-6-8-10-14-17(19)20/h5,7,9,12,16,22H,2-4,6,8,10-11,13-15H2,1H3,(H,19,20)/b7-5-,12-9+/t16-/m1/s1