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

Systemtic Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] (Z)-heptadec-9-enoate Openeye Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxy-propyl] (Z)-heptadec-9-enoate CAS Name: (Z)-9-heptadecenoic 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] (Z)-heptadec-9-enoate Traditional Name: (Z)-heptadec-9-enoic acid [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxy-propyl] ester Formula: C37H66O5 MolecularWeight: 590.91694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H66O5/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/h10,12,15-18,35,38H,3-9,11,13-14,19-34H2,1-2H3/b12-10-,17-15-,18-16-/t35-/m0/s1