20-[5-azido-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid

Systemtic Name: 20-[5-azido-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid Openeye Name: 20-[5-azido-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-decyl-icosanoic acid CAS Name: 20-[5-azido-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-decyleicosanoic acid IUPAC Name: 20-[5-azido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-decylicosanoic acid Traditional Name: 20-(5-azido-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl)-2-decyl-arachidic acid Formula: C36H69N3O6 MolecularWeight: 639.94956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)N=[N+]=[N-])O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)N=[N+]=[N-])O)O)C(=O)O

InChI

InChI=1S/C36H69N3O6/c1-2-3-4-5-6-17-20-23-26-30(36(43)44)27-24-21-18-15-13-11-9-7-8-10-12-14-16-19-22-25-28-31-34(41)35(42)33(38-39-37)32(29-40)45-31/h30-35,40-42H,2-29H2,1H3,(H,43,44)