bis(hydroxymethyl) 13-ethyl-13-[12-(hydroxymethyloxy)-12-oxidanylidene-dodecyl]pentacosanedioate

Systemtic Name: bis(hydroxymethyl) 13-ethyl-13-[12-(hydroxymethyloxy)-12-oxidanylidene-dodecyl]pentacosanedioate Openeye Name: bis(hydroxymethyl) 13-ethyl-13-[12-(hydroxymethoxy)-12-oxo-dodecyl]pentacosanedioate CAS Name: 13-ethyl-13-[12-(hydroxymethoxy)-12-oxododecyl]pentacosanedioic acid bis(hydroxymethyl) ester IUPAC Name: bis(hydroxymethyl) 13-ethyl-13-[12-(hydroxymethoxy)-12-oxododecyl]pentacosanedioate Traditional Name: 13-ethyl-13-(12-keto-12-methyloloxy-dodecyl)pentacosanedioic acid dimethylol ester Formula: C42H80O9 MolecularWeight: 729.0792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCCCC(=O)OCO)(CCCCCCCCCCCC(=O)OCO)CCCCCCCCCCCC(=O)OCO

Isomeric SMILES

CCC(CCCCCCCCCCCC(=O)OCO)(CCCCCCCCCCCC(=O)OCO)CCCCCCCCCCCC(=O)OCO

InChI

InChI=1S/C42H80O9/c1-2-42(33-27-21-15-9-3-6-12-18-24-30-39(46)49-36-43,34-28-22-16-10-4-7-13-19-25-31-40(47)50-37-44)35-29-23-17-11-5-8-14-20-26-32-41(48)51-38-45/h43-45H,2-38H2,1H3