[5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexyl] (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: [5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexyl] (9E,12E)-octadeca-9,12-dienoate Openeye Name: [2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexyl] (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl] ester IUPAC Name: [2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl] (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid [2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexyl] ester Formula: C28H50O3 MolecularWeight: 434.6948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC1CC(CCC1C(C)(C)O)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC1CC(CCC1C(C)(C)O)C

InChI

InChI=1S/C28H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)31-26-23-24(2)21-22-25(26)28(3,4)30/h9-10,12-13,24-26,30H,5-8,11,14-23H2,1-4H3/b10-9+,13-12+