[(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (Z)-docos-13-enoate

Systemtic Name: [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-2-(1-oxoheptadecoxy)-3-[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] ester Formula: C58H108O6 MolecularWeight: 901.47452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h21,24-25,27,55H,4-20,22-23,26,28-54H2,1-3H3/b24-21-,27-25-/t55-/m1/s1