[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] icosanoate

Systemtic Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] icosanoate Openeye Name: [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] icosanoate CAS Name: eicosanoic acid [(2S)-1-hydroxy-3-[(Z)-1-oxohexadec-9-enoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropan-2-yl] icosanoate Traditional Name: arachidic acid [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C39H74O5 MolecularWeight: 623.00186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,37,40H,3-13,15,17-36H2,1-2H3/b16-14-/t37-/m0/s1