2-chloranyl-2-[3-(4-fluoranylphenoxy)propyl]propanedioic acid

Systemtic Name: 2-chloranyl-2-[3-(4-fluoranylphenoxy)propyl]propanedioic acid Openeye Name: 2-chloro-2-[3-(4-fluorophenoxy)propyl]propanedioic acid CAS Name: 2-chloro-2-[3-(4-fluorophenoxy)propyl]propanedioic acid IUPAC Name: 2-chloro-2-[3-(4-fluorophenoxy)propyl]propanedioic acid Traditional Name: 2-chloro-2-[3-(4-fluorophenoxy)propyl]malonic acid Formula: C12H12ClFO5 MolecularWeight: 290.672083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(C(=O)O)(C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1OCCCC(C(=O)O)(C(=O)O)Cl)F

InChI

InChI=1S/C12H12ClFO5/c13-12(10(15)16,11(17)18)6-1-7-19-9-4-2-8(14)3-5-9/h2-5H,1,6-7H2,(H,15,16)(H,17,18)