3-[(4-chlorophenyl)methyl]pentanedioic acid

Systemtic Name: 3-[(4-chlorophenyl)methyl]pentanedioic acid Openeye Name: 3-[(4-chlorophenyl)methyl]pentanedioic acid CAS Name: 3-[(4-chlorophenyl)methyl]pentanedioic acid IUPAC Name: 3-[(4-chlorophenyl)methyl]pentanedioic acid Traditional Name: 3-(4-chlorobenzyl)glutaric acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)O)CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(CC(=O)O)CC(=O)O)Cl

InChI

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