(2,2-dimethyl-3-oxidanyl-propyl) 2,2-dimethyl-3-oxidanyl-propanoate; 3-oxidanylidenebutanoic acid

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) 2,2-dimethyl-3-oxidanyl-propanoate; 3-oxidanylidenebutanoic acid Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) 3-hydroxy-2,2-dimethyl-propanoate; 3-oxobutanoic acid CAS Name: 3-hydroxy-2,2-dimethylpropanoic acid (3-hydroxy-2,2-dimethylpropyl) ester; 3-oxobutanoic acid IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate; 3-oxobutanoic acid Traditional Name: acetoacetic acid; 3-hydroxy-2,2-dimethyl-propionic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C18H32O10 MolecularWeight: 408.44068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)O.CC(=O)CC(=O)O.CC(C)(CO)COC(=O)C(C)(C)CO

Isomeric SMILES

CC(=O)CC(=O)O.CC(=O)CC(=O)O.CC(C)(CO)COC(=O)C(C)(C)CO

InChI

InChI=1S/C10H20O4.2C4H6O3/c1-9(2,5-11)7-14-8(13)10(3,4)6-12;2*1-3(5)2-4(6)7/h11-12H,5-7H2,1-4H3;2*2H2,1H3,(H,6,7)