4-(3-chloranyl-4-fluoranyl-phenyl)-4-cyano-heptanedioic acid

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-4-cyano-heptanedioic acid Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-4-cyano-heptanedioic acid CAS Name: 4-(3-chloro-4-fluorophenyl)-4-cyanoheptanedioic acid IUPAC Name: 4-(3-chloro-4-fluorophenyl)-4-cyanoheptanedioic acid Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-4-cyano-pimelic acid Formula: C14H13ClFNO4 MolecularWeight: 313.708723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClFNO4/c15-10-7-9(1-2-11(10)16)14(8-17,5-3-12(18)19)6-4-13(20)21/h1-2,7H,3-6H2,(H,18,19)(H,20,21)