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

Systemtic Name: [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] icosanoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] icosanoate CAS Name: eicosanoic 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] icosanoate Traditional Name: arachidic acid [(1S)-1-methylol-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] ester Formula: C41H76O5 MolecularWeight: 649.03914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42H,3-11,13,15-17,19-20,22-38H2,1-2H3/b14-12-,21-18-/t39-/m0/s1