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

Systemtic Name: 2-dodecyl-20-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]icosanoic acid Openeye Name: 2-dodecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]icosanoic acid CAS Name: 2-dodecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]eicosanoic acid IUPAC Name: 2-dodecyl-20-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]icosanoic acid Traditional Name: 2-lauryl-20-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)arachidic acid Formula: C38H74O7 MolecularWeight: 642.98996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H74O7/c1-2-3-4-5-6-7-16-19-22-25-28-32(38(43)44)29-26-23-20-17-14-12-10-8-9-11-13-15-18-21-24-27-30-33-35(40)37(42)36(41)34(31-39)45-33/h32-37,39-42H,2-31H2,1H3,(H,43,44)