2-hexadecyl-20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]icosanoic acid

Systemtic Name: 2-hexadecyl-20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]icosanoic acid Openeye Name: 2-hexadecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]icosanoic acid CAS Name: 2-hexadecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]eicosanoic acid IUPAC Name: 2-hexadecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]icosanoic acid Traditional Name: 2-cetyl-20-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)arachidic acid Formula: C42H82O7 MolecularWeight: 699.09628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)O)O)O)C(=O)O

InChI

InChI=1S/C42H82O7/c1-2-3-4-5-6-7-8-9-14-17-20-23-26-29-32-36(42(47)48)33-30-27-24-21-18-15-12-10-11-13-16-19-22-25-28-31-34-37-39(44)41(46)40(45)38(35-43)49-37/h36-41,43-46H,2-35H2,1H3,(H,47,48)