4-(2-chlorophenyl)-4-cyano-heptanedioic acid

Systemtic Name: 4-(2-chlorophenyl)-4-cyano-heptanedioic acid Openeye Name: 4-(2-chlorophenyl)-4-cyano-heptanedioic acid CAS Name: 4-(2-chlorophenyl)-4-cyanoheptanedioic acid IUPAC Name: 4-(2-chlorophenyl)-4-cyanoheptanedioic acid Traditional Name: 4-(2-chlorophenyl)-4-cyano-pimelic acid Formula: C14H14ClNO4 MolecularWeight: 295.71826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO4/c15-11-4-2-1-3-10(11)14(9-16,7-5-12(17)18)8-6-13(19)20/h1-4H,5-8H2,(H,17,18)(H,19,20)