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

Systemtic Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] henicosanoate Openeye Name: [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] henicosanoate CAS Name: heneicosanoic 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] henicosanoate Traditional Name: heneicosanoic acid [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C40H76O5 MolecularWeight: 637.02844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m0/s1