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

Systemtic Name: 2-decyl-20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]icosanoic acid Openeye Name: 2-decyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]icosanoic acid CAS Name: 2-decyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]eicosanoic acid IUPAC Name: 2-decyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]icosanoic acid Traditional Name: 2-decyl-20-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)arachidic acid Formula: C36H70O7 MolecularWeight: 614.9368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O7/c1-2-3-4-5-6-17-20-23-26-30(36(41)42)27-24-21-18-15-13-11-9-7-8-10-12-14-16-19-22-25-28-31-33(38)35(40)34(39)32(29-37)43-31/h30-35,37-40H,2-29H2,1H3,(H,41,42)