bis(hydroxymethyl) 17-ethyl-17-[16-(hydroxymethyloxy)-16-oxidanylidene-hexadecyl]tritriacontanedioate

Systemtic Name: bis(hydroxymethyl) 17-ethyl-17-[16-(hydroxymethyloxy)-16-oxidanylidene-hexadecyl]tritriacontanedioate Openeye Name: bis(hydroxymethyl) 17-ethyl-17-[16-(hydroxymethoxy)-16-oxo-hexadecyl]tritriacontanedioate CAS Name: 17-ethyl-17-[16-(hydroxymethoxy)-16-oxohexadecyl]tritriacontanedioic acid bis(hydroxymethyl) ester IUPAC Name: bis(hydroxymethyl) 17-ethyl-17-[16-(hydroxymethoxy)-16-oxohexadecyl]tritriacontanedioate Traditional Name: 17-ethyl-17-(16-keto-16-methyloloxy-hexadecyl)tritriacontanedioic acid dimethylol ester Formula: C54H104O9 MolecularWeight: 897.39816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCCCCCCCC(=O)OCO)(CCCCCCCCCCCCCCCC(=O)OCO)CCCCCCCCCCCCCCCC(=O)OCO

Isomeric SMILES

CCC(CCCCCCCCCCCCCCCC(=O)OCO)(CCCCCCCCCCCCCCCC(=O)OCO)CCCCCCCCCCCCCCCC(=O)OCO

InChI

InChI=1S/C54H104O9/c1-2-54(45-39-33-27-21-15-9-3-6-12-18-24-30-36-42-51(58)61-48-55,46-40-34-28-22-16-10-4-7-13-19-25-31-37-43-52(59)62-49-56)47-41-35-29-23-17-11-5-8-14-20-26-32-38-44-53(60)63-50-57/h55-57H,2-50H2,1H3