2-[3-(3-chlorophenyl)propyl]propanedioic acid

Systemtic Name: 2-[3-(3-chlorophenyl)propyl]propanedioic acid Openeye Name: 2-[3-(3-chlorophenyl)propyl]propanedioic acid CAS Name: 2-[3-(3-chlorophenyl)propyl]propanedioic acid IUPAC Name: 2-[3-(3-chlorophenyl)propyl]propanedioic acid Traditional Name: 2-[3-(3-chlorophenyl)propyl]malonic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H13ClO4/c13-9-5-1-3-8(7-9)4-2-6-10(11(14)15)12(16)17/h1,3,5,7,10H,2,4,6H2,(H,14,15)(H,16,17)