3-(2-oxidanylidenepropyl)phthalic acid ethanoate

Systemtic Name: 3-(2-oxidanylidenepropyl)phthalic acid ethanoate Openeye Name: 3-acetonylphthalic acid acetate CAS Name: 3-(2-oxopropyl)phthalic acid acetate IUPAC Name: 3-(2-oxopropyl)phthalic acid acetate Traditional Name: 3-acetonylphthalic acid acetate Formula: C13H13O7- MolecularWeight: 281.23812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=CC(=C1C(=O)O)C(=O)O.CC(=O)[O-]

Isomeric SMILES

CC(=O)CC1=CC=CC(=C1C(=O)O)C(=O)O.CC(=O)[O-]

InChI

InChI=1S/C11H10O5.C2H4O2/c1-6(12)5-7-3-2-4-8(10(13)14)9(7)11(15)16;1-2(3)4/h2-4H,5H2,1H3,(H,13,14)(H,15,16);1H3,(H,3,4)/p-1