4-[2,6-bis(chloranyl)phenyl]-4-cyano-heptanedioic acid

Systemtic Name: 4-[2,6-bis(chloranyl)phenyl]-4-cyano-heptanedioic acid Openeye Name: 4-cyano-4-(2,6-dichlorophenyl)heptanedioic acid CAS Name: 4-cyano-4-(2,6-dichlorophenyl)heptanedioic acid IUPAC Name: 4-cyano-4-(2,6-dichlorophenyl)heptanedioic acid Traditional Name: 4-cyano-4-(2,6-dichlorophenyl)pimelic acid Formula: C14H13Cl2NO4 MolecularWeight: 330.16332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Cl2NO4/c15-9-2-1-3-10(16)13(9)14(8-17,6-4-11(18)19)7-5-12(20)21/h1-3H,4-7H2,(H,18,19)(H,20,21)