[(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Systemtic Name: [(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Openeye Name: [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(2S)-1-hydroxy-3-(1-oxoheptadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Traditional Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C38H68O5 MolecularWeight: 604.94352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCC=CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

InChI

InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,36,39H,3-4,6,8-10,12,14-16,18,20-35H2,1-2H3/b7-5-,13-11-,19-17-/t36-/m0/s1