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

Systemtic Name: [(2S)-1-[(Z)-heptadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] henicosanoate Openeye Name: [(1S)-1-[[(Z)-heptadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-1-hydroxy-3-[(Z)-1-oxoheptadec-9-enoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-[(Z)-heptadec-9-enoyl]oxy-3-hydroxypropan-2-yl] henicosanoate Traditional Name: heneicosanoic acid [(1S)-1-[[(Z)-heptadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C41H78O5 MolecularWeight: 651.05502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h16,18,39,42H,3-15,17,19-38H2,1-2H3/b18-16-/t39-/m0/s1