[(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] heptadecanoate

Systemtic Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] heptadecanoate Openeye Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxy-propyl] heptadecanoate CAS Name: heptadecanoic acid [(2S)-3-hydroxy-2-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxypropyl] heptadecanoate Traditional Name: heptadecanoic acid [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxy-propyl] ester Formula: C37H68O5 MolecularWeight: 592.93282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,35,38H,3-9,11,13-15,17,19-34H2,1-2H3/b12-10-,18-16-/t35-/m0/s1