bis(hydroxymethyl) 15-ethyl-15-[14-(hydroxymethyloxy)-13-oxidanyl-14-oxidanylidene-tetradecyl]-2,28-bis(oxidanyl)nonacosanedioate

Systemtic Name: bis(hydroxymethyl) 15-ethyl-15-[14-(hydroxymethyloxy)-13-oxidanyl-14-oxidanylidene-tetradecyl]-2,28-bis(oxidanyl)nonacosanedioate Openeye Name: bis(hydroxymethyl) 15-ethyl-2,28-dihydroxy-15-[13-hydroxy-14-(hydroxymethoxy)-14-oxo-tetradecyl]nonacosanedioate CAS Name: 15-ethyl-2,28-dihydroxy-15-[13-hydroxy-14-(hydroxymethoxy)-14-oxotetradecyl]nonacosanedioic acid bis(hydroxymethyl) ester IUPAC Name: bis(hydroxymethyl) 15-ethyl-2,28-dihydroxy-15-[13-hydroxy-14-(hydroxymethoxy)-14-oxotetradecyl]nonacosanedioate Traditional Name: 15-ethyl-2,28-dihydroxy-15-(13-hydroxy-14-keto-14-methyloloxy-tetradecyl)nonacosanedioic acid dimethylol ester Formula: C48H92O12 MolecularWeight: 861.23688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCCCCC(C(=O)OCO)O)(CCCCCCCCCCCCC(C(=O)OCO)O)CCCCCCCCCCCCC(C(=O)OCO)O

Isomeric SMILES

CCC(CCCCCCCCCCCCC(C(=O)OCO)O)(CCCCCCCCCCCCC(C(=O)OCO)O)CCCCCCCCCCCCC(C(=O)OCO)O

InChI

InChI=1S/C48H92O12/c1-2-48(36-30-24-18-12-6-3-9-15-21-27-33-42(52)45(55)58-39-49,37-31-25-19-13-7-4-10-16-22-28-34-43(53)46(56)59-40-50)38-32-26-20-14-8-5-11-17-23-29-35-44(54)47(57)60-41-51/h42-44,49-54H,2-41H2,1H3