[(9E,12E)-octadeca-9,12-dienoyl] 2-propan-2-yloctadecanoate

Systemtic Name: [(9E,12E)-octadeca-9,12-dienoyl] 2-propan-2-yloctadecanoate Openeye Name: [(9E,12E)-octadeca-9,12-dienoyl] 2-isopropyloctadecanoate CAS Name: 2-propan-2-yloctadecanoic acid [(9E,12E)-1-oxooctadeca-9,12-dienyl] ester IUPAC Name: [(9E,12E)-octadeca-9,12-dienoyl] 2-propan-2-yloctadecanoate Traditional Name: 2-isopropylstearic acid [(9E,12E)-octadeca-9,12-dienoyl] ester Formula: C39H72O3 MolecularWeight: 588.98718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C)C)C(=O)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C)C)C(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C39H72O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(40)42-39(41)37(36(3)4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,36-37H,5-12,14,16-18,20,22-35H2,1-4H3/b15-13+,21-19+