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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4/c1-12(6-10(14)15,7-11(16)17)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)