13-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxydocosanoic acid

Systemtic Name: 13-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxydocosanoic acid Openeye Name: 13-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxydocosanoic acid CAS Name: 13-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]docosanoic acid IUPAC Name: 13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosanoic acid Traditional Name: 13-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxybehenic acid Formula: C28H54O8 MolecularWeight: 518.72356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)