[1-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] octadecanoate

Systemtic Name: [1-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propan-2-yl] octadecanoate Openeye Name: [1-(hydroxymethyl)-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-ethyl] octadecanoate CAS Name: octadecanoic acid [1-hydroxy-3-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propan-2-yl] ester IUPAC Name: [1-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropan-2-yl] octadecanoate Traditional Name: stearic acid [1-methylol-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-ethyl] ester Formula: C39H72O5 MolecularWeight: 620.98598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=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/h11,13,17,19,37,40H,3-10,12,14-16,18,20-36H2,1-2H3/b13-11+,19-17+