[3-acetyloxy-4-ethanoyl-1,4-bis(oxidanyl)-5,6-bis(oxidanylidene)heptan-2-yl] ethanoate

Systemtic Name: [3-acetyloxy-4-ethanoyl-1,4-bis(oxidanyl)-5,6-bis(oxidanylidene)heptan-2-yl] ethanoate Openeye Name: [2-acetoxy-3-acetyl-3-hydroxy-1-(hydroxymethyl)-4,5-dioxo-hexyl] acetate CAS Name: acetic acid (4-acetyl-3-acetyloxy-1,4-dihydroxy-5,6-dioxoheptan-2-yl) ester IUPAC Name: (4-acetyl-3-acetyloxy-1,4-dihydroxy-5,6-dioxoheptan-2-yl) acetate Traditional Name: acetic acid (2-acetoxy-3-acetyl-3-hydroxy-4,5-diketo-1-methylol-hexyl) ester Formula: C13H18O9 MolecularWeight: 318.27662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)C(C(C(CO)OC(=O)C)OC(=O)C)(C(=O)C)O

Isomeric SMILES

CC(=O)C(=O)C(C(C(CO)OC(=O)C)OC(=O)C)(C(=O)C)O

InChI

InChI=1S/C13H18O9/c1-6(15)11(19)13(20,7(2)16)12(22-9(4)18)10(5-14)21-8(3)17/h10,12,14,20H,5H2,1-4H3