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

Systemtic Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] docosanoate CAS Name: docosanoic 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] docosanoate Traditional Name: behenic acid [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C41H78O5 MolecularWeight: 651.05502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16,39,42H,3-13,15,17-38H2,1-2H3/b16-14-/t39-/m0/s1