[(2S)-1-[(Z)-heptadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] (Z)-docos-13-enoate

Systemtic Name: [(2S)-1-[(Z)-heptadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] (Z)-docos-13-enoate Openeye Name: [(1S)-1-[[(Z)-heptadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic 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] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(1S)-1-[[(Z)-heptadec-9-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C42H78O5 MolecularWeight: 663.06572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h16-19,40,43H,3-15,20-39H2,1-2H3/b18-16-,19-17-/t40-/m0/s1