5-ethanoylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-ethanoylbenzene-1,3-dicarboxylic acid Openeye Name: 5-acetylbenzene-1,3-dicarboxylic acid CAS Name: 5-acetylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-acetylbenzene-1,3-dicarboxylic acid Traditional Name: 5-acetylisophthalic acid Formula: C10H8O5 MolecularWeight: 208.16752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C10H8O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3,(H,12,13)(H,14,15)