2-hexadecyl-2-(4-methylpentyl)icosanoate

Systemtic Name: 2-hexadecyl-2-(4-methylpentyl)icosanoate Openeye Name: 2-hexadecyl-2-isohexyl-icosanoate CAS Name: 2-hexadecyl-2-(4-methylpentyl)eicosanoate IUPAC Name: 2-hexadecyl-2-(4-methylpentyl)icosanoate Traditional Name: 2-cetyl-2-isohexyl-arachidate Formula: C42H83O2- MolecularWeight: 620.10722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCC(C)C)C(=O)[O-]

InChI

InChI=1S/C42H84O2/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38-42(41(43)44,39-35-36-40(3)4)37-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h40H,5-39H2,1-4H3,(H,43,44)/p-1