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

Systemtic Name: 3-cyano-3-(3,4-dichlorophenyl)hexanedioic acid Openeye Name: 3-cyano-3-(3,4-dichlorophenyl)hexanedioic acid CAS Name: 3-cyano-3-(3,4-dichlorophenyl)hexanedioic acid IUPAC Name: 3-cyano-3-(3,4-dichlorophenyl)hexanedioic acid Traditional Name: 3-cyano-3-(3,4-dichlorophenyl)adipic acid Formula: C13H11Cl2NO4 MolecularWeight: 316.13674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2NO4/c14-9-2-1-8(5-10(9)15)13(7-16,6-12(19)20)4-3-11(17)18/h1-2,5H,3-4,6H2,(H,17,18)(H,19,20)