(9Z,11E,13S)-17-methoxy-13-(2-methoxypropan-2-ylperoxy)-17-oxidanylidene-heptadeca-9,11-dienoic acid

Systemtic Name: (9Z,11E,13S)-17-methoxy-13-(2-methoxypropan-2-ylperoxy)-17-oxidanylidene-heptadeca-9,11-dienoic acid Openeye Name: (9Z,11E,13S)-17-methoxy-13-(1-methoxy-1-methyl-ethyl)peroxy-17-oxo-heptadeca-9,11-dienoic acid CAS Name: (9Z,11E,13S)-17-methoxy-13-(2-methoxypropan-2-yldioxy)-17-oxoheptadeca-9,11-dienoic acid IUPAC Name: (9Z,11E,13S)-17-methoxy-13-(2-methoxypropan-2-ylperoxy)-17-oxoheptadeca-9,11-dienoic acid Traditional Name: (9Z,11E,13S)-17-keto-17-methoxy-13-(1-methoxy-1-methyl-ethyl)peroxy-heptadeca-9,11-dienoic acid Formula: C22H38O7 MolecularWeight: 414.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(OC)OOC(CCCC(=O)OC)C=CC=CCCCCCCCC(=O)O

Isomeric SMILES

CC(C)(OC)OO[C@@H](CCCC(=O)OC)/C=C/C=C\CCCCCCCC(=O)O

InChI

InChI=1S/C22H38O7/c1-22(2,27-4)29-28-19(16-14-18-21(25)26-3)15-12-10-8-6-5-7-9-11-13-17-20(23)24/h8,10,12,15,19H,5-7,9,11,13-14,16-18H2,1-4H3,(H,23,24)/b10-8-,15-12+/t19-/m1/s1