[(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] nonadecanoate

Systemtic Name: [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] nonadecanoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] nonadecanoate CAS Name: nonadecanoic acid [(2S)-1-hydroxy-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] nonadecanoate Traditional Name: nonadecanoic acid [(1S)-1-methylol-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] ester Formula: C40H74O5 MolecularWeight: 635.01256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38,41H,3-11,13,15-17,19,21-37H2,1-2H3/b14-12-,20-18-/t38-/m0/s1