3-(5-oxidanylidenepentan-2-yl)phthalic acid

Systemtic Name: 3-(5-oxidanylidenepentan-2-yl)phthalic acid Openeye Name: 3-(1-methyl-4-oxo-butyl)phthalic acid CAS Name: 3-(5-oxopentan-2-yl)phthalic acid IUPAC Name: 3-(5-oxopentan-2-yl)phthalic acid Traditional Name: 3-(4-keto-1-methyl-butyl)phthalic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=O)C1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(CCC=O)C1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C13H14O5/c1-8(4-3-7-14)9-5-2-6-10(12(15)16)11(9)13(17)18/h2,5-8H,3-4H2,1H3,(H,15,16)(H,17,18)