2-ethanoylbutanedioate; 3-ethanoyl-2,2-dimethyl-butanedioate

Systemtic Name: 2-ethanoylbutanedioate; 3-ethanoyl-2,2-dimethyl-butanedioate Openeye Name: 2-acetylbutanedioate; 3-acetyl-2,2-dimethyl-butanedioate CAS Name: 2-acetylbutanedioate; 3-acetyl-2,2-dimethylbutanedioate IUPAC Name: 2-acetylbutanedioate; 3-acetyl-2,2-dimethylbutanedioate Traditional Name: 3-acetyl-2,2-dimethyl-succinate; 2-acetylsuccinate Formula: C14H16O10-4 MolecularWeight: 344.27084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O5.C6H8O5/c1-4(9)5(6(10)11)8(2,3)7(12)13;1-3(7)4(6(10)11)2-5(8)9/h5H,1-3H3,(H,10,11)(H,12,13);4H,2H2,1H3,(H,8,9)(H,10,11)/p-4