[(2S)-1-hexadecanoyloxy-3-oxidanyl-propan-2-yl] icosanoate

Systemtic Name: [(2S)-1-hexadecanoyloxy-3-oxidanyl-propan-2-yl] icosanoate Openeye Name: [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] icosanoate CAS Name: eicosanoic acid [(2S)-1-hydroxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] icosanoate Traditional Name: arachidic acid [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C39H76O5 MolecularWeight: 625.01774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C39H76O5/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/h37,40H,3-36H2,1-2H3/t37-/m0/s1