2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]propanedioic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]propanedioic acid Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]propanedioic acid CAS Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]propanedioic acid IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]propanedioic acid Traditional Name: 2-[4-(4-fluorophenyl)-4-keto-butyl]malonic acid Formula: C13H13FO5 MolecularWeight: 268.237723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCC(C(=O)O)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCC(C(=O)O)C(=O)O)F

InChI

InChI=1S/C13H13FO5/c14-9-6-4-8(5-7-9)11(15)3-1-2-10(12(16)17)13(18)19/h4-7,10H,1-3H2,(H,16,17)(H,18,19)