[(2S)-2-nonadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] icosanoate

Systemtic Name: [(2S)-2-nonadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] icosanoate Openeye Name: [(2S)-2-nonadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] icosanoate CAS Name: eicosanoic acid [(2S)-2-(1-oxononadecoxy)-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-nonadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] icosanoate Traditional Name: arachidic acid [(2S)-2-nonadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C60H114O6 MolecularWeight: 931.54356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h27,31,57H,4-26,28-30,32-56H2,1-3H3/b31-27-/t57-/m1/s1