2-[2-[4-(chloromethyl)phenyl]ethyl]propanedioic acid

Systemtic Name: 2-[2-[4-(chloromethyl)phenyl]ethyl]propanedioic acid Openeye Name: 2-[2-[4-(chloromethyl)phenyl]ethyl]propanedioic acid CAS Name: 2-[2-[4-(chloromethyl)phenyl]ethyl]propanedioic acid IUPAC Name: 2-[2-[4-(chloromethyl)phenyl]ethyl]propanedioic acid Traditional Name: 2-[2-[4-(chloromethyl)phenyl]ethyl]malonic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)O)C(=O)O)CCl

Isomeric SMILES

C1=CC(=CC=C1CCC(C(=O)O)C(=O)O)CCl

InChI

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