3-oxidanylidenebutanoate; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one

Systemtic Name: 3-oxidanylidenebutanoate; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: 3-oxobutanoate; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: 3-oxobutanoate; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: 3-oxobutanoate; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: acetoacetate; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C10H17O9- MolecularWeight: 281.23658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

CC(=O)CC(=O)[O-].C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/C6H12O6.C4H6O3/c7-1-3(9)5(11)6(12)4(10)2-8;1-3(5)2-4(6)7/h3,5-9,11-12H,1-2H2;2H2,1H3,(H,6,7)/p-1