2-(4-pentylphenyl)propanedioic acid

Systemtic Name: 2-(4-pentylphenyl)propanedioic acid Openeye Name: 2-(4-pentylphenyl)propanedioic acid CAS Name: 2-(4-pentylphenyl)propanedioic acid IUPAC Name: 2-(4-pentylphenyl)propanedioic acid Traditional Name: 2-(4-amylphenyl)malonic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H18O4/c1-2-3-4-5-10-6-8-11(9-7-10)12(13(15)16)14(17)18/h6-9,12H,2-5H2,1H3,(H,15,16)(H,17,18)