3-[2-[4-(carboxymethyl)-3-fluoranyl-phenyl]ethynyl]benzoic acid

Systemtic Name: 3-[2-[4-(carboxymethyl)-3-fluoranyl-phenyl]ethynyl]benzoic acid Openeye Name: 3-[2-[4-(carboxymethyl)-3-fluoro-phenyl]ethynyl]benzoic acid CAS Name: 3-[2-[4-(carboxymethyl)-3-fluorophenyl]ethynyl]benzoic acid IUPAC Name: 3-[2-[4-(carboxymethyl)-3-fluorophenyl]ethynyl]benzoic acid Traditional Name: 3-[2-[4-(carboxymethyl)-3-fluoro-phenyl]ethynyl]benzoic acid Formula: C17H11FO4 MolecularWeight: 298.265243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C#CC2=CC(=C(C=C2)CC(=O)O)F

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C#CC2=CC(=C(C=C2)CC(=O)O)F

InChI

InChI=1S/C17H11FO4/c18-15-9-12(6-7-13(15)10-16(19)20)5-4-11-2-1-3-14(8-11)17(21)22/h1-3,6-9H,10H2,(H,19,20)(H,21,22)