[(2S)-1-hexadecanoyloxy-3-phenylmethoxy-propan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: [(2S)-1-hexadecanoyloxy-3-phenylmethoxy-propan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [(1S)-1-(benzyloxymethyl)-2-hexadecanoyloxy-ethyl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(2S)-1-(1-oxohexadecoxy)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [(2S)-1-hexadecanoyloxy-3-phenylmethoxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(1S)-1-(benzoxymethyl)-2-hexadecanoyloxy-ethyl] ester Formula: C44H74O5 MolecularWeight: 683.05536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COCC1=CC=CC=C1)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C44H74O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-44(46)49-42(39-47-38-41-34-30-29-31-35-41)40-48-43(45)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,29-31,34-35,42H,3-10,12,14-16,19-28,32-33,36-40H2,1-2H3/b13-11-,18-17-/t42-/m0/s1