[2-(hydroxymethyl)-2-oxidanyl-icosanoyl] 2-(hydroxymethyl)-2-oxidanyl-icosanoate

Systemtic Name: [2-(hydroxymethyl)-2-oxidanyl-icosanoyl] 2-(hydroxymethyl)-2-oxidanyl-icosanoate Openeye Name: [2-hydroxy-2-(hydroxymethyl)icosanoyl] 2-hydroxy-2-(hydroxymethyl)icosanoate CAS Name: 2-hydroxy-2-(hydroxymethyl)eicosanoic acid [2-hydroxy-2-(hydroxymethyl)-1-oxoeicosyl] ester IUPAC Name: [2-hydroxy-2-(hydroxymethyl)icosanoyl] 2-hydroxy-2-(hydroxymethyl)icosanoate Traditional Name: 2-hydroxy-2-methylol-arachidic acid (2-hydroxy-2-methylol-eicosanoyl) ester Formula: C42H82O7 MolecularWeight: 699.09628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CO)(C(=O)OC(=O)C(CCCCCCCCCCCCCCCCCC)(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CO)(C(=O)OC(=O)C(CCCCCCCCCCCCCCCCCC)(CO)O)O

InChI

InChI=1S/C42H82O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(47,37-43)39(45)49-40(46)42(48,38-44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44,47-48H,3-38H2,1-2H3