2-[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl]docosanoate

Systemtic Name: 2-[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl]docosanoate Openeye Name: 2-[4-hydroxy-1,1-bis(hydroxymethyl)butyl]docosanoate CAS Name: 2-[1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl]docosanoate IUPAC Name: 2-[1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl]docosanoate Traditional Name: 2-(4-hydroxy-1,1-dimethylol-butyl)behenate Formula: C28H55O5- MolecularWeight: 471.7333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(CCCO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(CCCO)(CO)CO

InChI

InChI=1S/C28H56O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(27(32)33)28(24-30,25-31)22-20-23-29/h26,29-31H,2-25H2,1H3,(H,32,33)/p-1