6-[1-docosanoyloxy-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexan-3-yl]oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[1-docosanoyloxy-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexan-3-yl]oxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-docosanoyloxyacetyl)-2,3,4-trihydroxy-butoxy]-6-oxo-hexanoic acid CAS Name: 6-oxo-6-[4,5,6-trihydroxy-2-oxo-1-(1-oxodocosoxy)hexan-3-yl]oxyhexanoic acid IUPAC Name: 6-(1-docosanoyloxy-4,5,6-trihydroxy-2-oxohexan-3-yl)oxy-6-oxohexanoic acid Traditional Name: 6-[1-(2-docosanoyloxyacetyl)-2,3,4-trihydroxy-butoxy]-6-keto-hexanoic acid Formula: C34H62O10 MolecularWeight: 630.85008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C(C(C(CO)O)O)OC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C(C(C(CO)O)O)OC(=O)CCCCC(=O)O

InChI

InChI=1S/C34H62O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31(40)43-27-29(37)34(33(42)28(36)26-35)44-32(41)25-22-21-23-30(38)39/h28,33-36,42H,2-27H2,1H3,(H,38,39)