3-cyano-3-(3,4-dichlorophenyl)pentanedioic acid

Systemtic Name: 3-cyano-3-(3,4-dichlorophenyl)pentanedioic acid Openeye Name: 3-cyano-3-(3,4-dichlorophenyl)pentanedioic acid CAS Name: 3-cyano-3-(3,4-dichlorophenyl)pentanedioic acid IUPAC Name: 3-cyano-3-(3,4-dichlorophenyl)pentanedioic acid Traditional Name: 3-cyano-3-(3,4-dichlorophenyl)glutaric acid Formula: C12H9Cl2NO4 MolecularWeight: 302.11016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CC(=O)O)(CC(=O)O)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CC(=O)O)(CC(=O)O)C#N)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO4/c13-8-2-1-7(3-9(8)14)12(6-15,4-10(16)17)5-11(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)