[(2S)-3-oxidanyl-2-phenylmethoxy-propyl] (9Z,11E,13S)-13-(2-methoxypropan-2-ylperoxy)octadeca-9,11-dienoate

Systemtic Name: [(2S)-3-oxidanyl-2-phenylmethoxy-propyl] (9Z,11E,13S)-13-(2-methoxypropan-2-ylperoxy)octadeca-9,11-dienoate Openeye Name: [(2S)-2-benzyloxy-3-hydroxy-propyl] (9Z,11E,13S)-13-(1-methoxy-1-methyl-ethyl)peroxyoctadeca-9,11-dienoate CAS Name: (9Z,11E,13S)-13-(2-methoxypropan-2-yldioxy)octadeca-9,11-dienoic acid [(2S)-3-hydroxy-2-phenylmethoxypropyl] ester IUPAC Name: [(2S)-3-hydroxy-2-phenylmethoxypropyl] (9Z,11E,13S)-13-(2-methoxypropan-2-ylperoxy)octadeca-9,11-dienoate Traditional Name: (9Z,11E,13S)-13-(1-methoxy-1-methyl-ethyl)peroxyoctadeca-9,11-dienoic acid [(2S)-2-benzoxy-3-hydroxy-propyl] ester Formula: C32H52O7 MolecularWeight: 548.75108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=CCCCCCCCC(=O)OCC(CO)OCC1=CC=CC=C1)OOC(C)(C)OC

Isomeric SMILES

CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)OC[C@H](CO)OCC1=CC=CC=C1)OOC(C)(C)OC

InChI

InChI=1S/C32H52O7/c1-5-6-15-22-29(38-39-32(2,3)35-4)23-18-12-10-8-7-9-11-13-19-24-31(34)37-27-30(25-33)36-26-28-20-16-14-17-21-28/h10,12,14,16-18,20-21,23,29-30,33H,5-9,11,13,15,19,22,24-27H2,1-4H3/b12-10-,23-18+/t29-,30-/m0/s1