4-ethanoyl-6,7,8-tris(oxidanyl)-3-tridecyl-octane-2,5-dione

Systemtic Name: 4-ethanoyl-6,7,8-tris(oxidanyl)-3-tridecyl-octane-2,5-dione Openeye Name: 4-acetyl-6,7,8-trihydroxy-3-tridecyl-octane-2,5-dione CAS Name: 4-acetyl-6,7,8-trihydroxy-3-tridecyloctane-2,5-dione IUPAC Name: 4-acetyl-6,7,8-trihydroxy-3-tridecyloctane-2,5-dione Traditional Name: 4-acetyl-6,7,8-trihydroxy-3-tridecyl-octane-2,5-dione Formula: C23H42O6 MolecularWeight: 414.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C(=O)C)C(=O)C(C(CO)O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(C(C(=O)C)C(=O)C(C(CO)O)O)C(=O)C

InChI

InChI=1S/C23H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(17(2)25)21(18(3)26)23(29)22(28)20(27)16-24/h19-22,24,27-28H,4-16H2,1-3H3