2,2-dimethylbutane; 3-oxidanylidenebutanoate

Systemtic Name: 2,2-dimethylbutane; 3-oxidanylidenebutanoate Openeye Name: 2,2-dimethylbutane; 3-oxobutanoate CAS Name: 2,2-dimethylbutane; 3-oxobutanoate IUPAC Name: 2,2-dimethylbutane; 3-oxobutanoate Traditional Name: acetoacetate; 2,2-dimethylbutane Formula: C18H29O9-3 MolecularWeight: 389.41746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14.3C4H6O3/c1-5-6(2,3)4;3*1-3(5)2-4(6)7/h5H2,1-4H3;3*2H2,1H3,(H,6,7)/p-3