2-(2-butylphenyl)propanedioic acid

Systemtic Name: 2-(2-butylphenyl)propanedioic acid Openeye Name: 2-(2-butylphenyl)propanedioic acid CAS Name: 2-(2-butylphenyl)propanedioic acid IUPAC Name: 2-(2-butylphenyl)propanedioic acid Traditional Name: 2-(2-butylphenyl)malonic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4/c1-2-3-6-9-7-4-5-8-10(9)11(12(14)15)13(16)17/h4-5,7-8,11H,2-3,6H2,1H3,(H,14,15)(H,16,17)