octadecyl 2-(4-methylpentyl)octadecanoate

Systemtic Name: octadecyl 2-(4-methylpentyl)octadecanoate Openeye Name: octadecyl 2-isohexyloctadecanoate CAS Name: 2-(4-methylpentyl)octadecanoic acid octadecyl ester IUPAC Name: octadecyl 2-(4-methylpentyl)octadecanoate Traditional Name: 2-isohexylstearic acid stearyl ester Formula: C42H84O2 MolecularWeight: 621.11516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCCCCCCCC)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCCCCCCCC)CCCC(C)C

InChI

InChI=1S/C42H84O2/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39-44-42(43)41(38-35-36-40(3)4)37-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h40-41H,5-39H2,1-4H3