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

Systemtic Name: [(2S)-1-hexadecanoyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate Openeye Name: [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] (9Z,12Z)-heptadeca-9,12-dienoate CAS Name: (9Z,12Z)-heptadeca-9,12-dienoic acid [(2S)-1-hydroxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate Traditional Name: (9Z,12Z)-heptadeca-9,12-dienoic acid [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C36H66O5 MolecularWeight: 578.90624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCC

InChI

InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,34,37H,3-8,10,12-14,16,18-33H2,1-2H3/b11-9-,17-15-/t34-/m0/s1