[2-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)butyl] 16-methylheptadecanoate

Systemtic Name: [2-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)butyl] 16-methylheptadecanoate Openeye Name: [2-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)butyl] 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [2-(hydroxymethyl)-2-[(16-methyl-1-oxoheptadecoxy)methyl]butyl] ester IUPAC Name: [2-(hydroxymethyl)-2-(16-methylheptadecanoyloxymethyl)butyl] 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid [2-(16-methylheptadecanoyloxymethyl)-2-methylol-butyl] ester Formula: C42H82O5 MolecularWeight: 667.09748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCC(CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C42H82O5/c1-6-42(35-43,36-46-40(44)33-29-25-21-17-13-9-7-11-15-19-23-27-31-38(2)3)37-47-41(45)34-30-26-22-18-14-10-8-12-16-20-24-28-32-39(4)5/h38-39,43H,6-37H2,1-5H3