[(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] octadecanoate

Systemtic Name: [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] octadecanoate Openeye Name: [(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2S)-3-hydroxy-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate Traditional Name: stearic acid [(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C39H72O5 MolecularWeight: 620.98598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40H,3-11,13,15-17,19,21-36H2,1-2H3/b14-12-,20-18-/t37-/m0/s1