2-[3-cyano-3-(3,4-dichlorophenyl)hexyl]propanedioic acid

Systemtic Name: 2-[3-cyano-3-(3,4-dichlorophenyl)hexyl]propanedioic acid Openeye Name: 2-[3-cyano-3-(3,4-dichlorophenyl)hexyl]propanedioic acid CAS Name: 2-[3-cyano-3-(3,4-dichlorophenyl)hexyl]propanedioic acid IUPAC Name: 2-[3-cyano-3-(3,4-dichlorophenyl)hexyl]propanedioic acid Traditional Name: 2-[3-cyano-3-(3,4-dichlorophenyl)hexyl]malonic acid Formula: C16H17Cl2NO4 MolecularWeight: 358.21648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C(=O)O)C(=O)O)(C#N)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCC(CCC(C(=O)O)C(=O)O)(C#N)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO4/c1-2-6-16(9-19,7-5-11(14(20)21)15(22)23)10-3-4-12(17)13(18)8-10/h3-4,8,11H,2,5-7H2,1H3,(H,20,21)(H,22,23)