[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] (9E,12E)-3-oxidanyloctadeca-9,12-dienoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] (9E,12E)-3-oxidanyloctadeca-9,12-dienoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] (9E,12E)-3-hydroxyoctadeca-9,12-dienoate CAS Name: (9E,12E)-3-hydroxyoctadeca-9,12-dienoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (9E,12E)-3-hydroxyoctadeca-9,12-dienoate Traditional Name: (9E,12E)-3-hydroxyoctadeca-9,12-dienoic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C23H42O5 MolecularWeight: 398.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCC(CC(=O)OCC(C)(CO)CO)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCC(CC(=O)OCC(C)(CO)CO)O

InChI

InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)17-22(27)28-20-23(2,18-24)19-25/h7-8,10-11,21,24-26H,3-6,9,12-20H2,1-2H3/b8-7+,11-10+