[1-oxidanyl-6-oxidanylidene-3,4,5-tris(3-oxidanylidenebutanoyloxy)hexan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-oxidanyl-6-oxidanylidene-3,4,5-tris(3-oxidanylidenebutanoyloxy)hexan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-(hydroxymethyl)-5-oxo-2,3,4-tris(3-oxobutanoyloxy)pentyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [3,4,5-tris(1,3-dioxobutoxy)-1-hydroxy-6-oxohexan-2-yl] ester IUPAC Name: [1-hydroxy-6-oxo-3,4,5-tris(3-oxobutanoyloxy)hexan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid (2,3,4-triacetoacetyloxy-5-keto-1-methylol-pentyl) ester Formula: C22H28O14 MolecularWeight: 516.44932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O14/c1-11(25)5-17(29)33-15(9-23)21(35-19(31)7-13(3)27)22(36-20(32)8-14(4)28)16(10-24)34-18(30)6-12(2)26/h9,15-16,21-22,24H,5-8,10H2,1-4H3