2-(4-phenylbutyl)propanedioic acid

Systemtic Name: 2-(4-phenylbutyl)propanedioic acid Openeye Name: 2-(4-phenylbutyl)propanedioic acid CAS Name: 2-(4-phenylbutyl)propanedioic acid IUPAC Name: 2-(4-phenylbutyl)propanedioic acid Traditional Name: 2-(4-phenylbutyl)malonic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c14-12(15)11(13(16)17)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)(H,16,17)