3-(3-fluorophenyl)-2-prop-2-enyl-pentanedioic acid

Systemtic Name: 3-(3-fluorophenyl)-2-prop-2-enyl-pentanedioic acid Openeye Name: 2-allyl-3-(3-fluorophenyl)pentanedioic acid CAS Name: 3-(3-fluorophenyl)-2-prop-2-enylpentanedioic acid IUPAC Name: 3-(3-fluorophenyl)-2-prop-2-enylpentanedioic acid Traditional Name: 2-allyl-3-(3-fluorophenyl)glutaric acid Formula: C14H15FO4 MolecularWeight: 266.264903

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC(=O)O)C1=CC(=CC=C1)F)C(=O)O

Isomeric SMILES

C=CCC(C(CC(=O)O)C1=CC(=CC=C1)F)C(=O)O

InChI

InChI=1S/C14H15FO4/c1-2-4-11(14(18)19)12(8-13(16)17)9-5-3-6-10(15)7-9/h2-3,5-7,11-12H,1,4,8H2,(H,16,17)(H,18,19)