2-tert-butyl-4,4-dimethyl-3-oxidanylidene-pentanoate; 3-oxidanylidenebutanoate

Systemtic Name: 2-tert-butyl-4,4-dimethyl-3-oxidanylidene-pentanoate; 3-oxidanylidenebutanoate Openeye Name: 2-tert-butyl-4,4-dimethyl-3-oxo-pentanoate; 3-oxobutanoate CAS Name: 2-tert-butyl-4,4-dimethyl-3-oxopentanoate; 3-oxobutanoate IUPAC Name: 2-tert-butyl-4,4-dimethyl-3-oxopentanoate; 3-oxobutanoate Traditional Name: acetoacetate; 2-tert-butyl-3-keto-4,4-dimethyl-valerate Formula: C15H24O6-2 MolecularWeight: 300.34746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O3.C4H6O3/c1-10(2,3)7(9(13)14)8(12)11(4,5)6;1-3(5)2-4(6)7/h7H,1-6H3,(H,13,14);2H2,1H3,(H,6,7)/p-2