5-hexadecanoyloxy-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-hexadecanoyloxy-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanoic acid Openeye Name: 5-hexadecanoyloxy-2,3,4-trihydroxy-6-oxo-hexanoic acid CAS Name: 2,3,4-trihydroxy-6-oxo-5-(1-oxohexadecoxy)hexanoic acid IUPAC Name: 5-hexadecanoyloxy-2,3,4-trihydroxy-6-oxohexanoic acid Traditional Name: 5-hexadecanoyloxy-2,3,4-trihydroxy-6-keto-hexanoic acid Formula: C22H40O8 MolecularWeight: 432.5482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C=O)C(C(C(C(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C=O)C(C(C(C(=O)O)O)O)O

InChI

InChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-17(16-23)19(25)20(26)21(27)22(28)29/h16-17,19-21,25-27H,2-15H2,1H3,(H,28,29)