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

Systemtic Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] heptadecanoate Openeye Name: [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] heptadecanoate CAS Name: heptadecanoic 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] heptadecanoate Traditional Name: heptadecanoic acid [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C36H68O5 MolecularWeight: 580.92212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,34,37H,3-13,15,17-33H2,1-2H3/b16-14-/t34-/m0/s1