3-[2-[4-(2-ethoxy-2-oxidanylidene-ethyl)-3-fluoranyl-phenyl]ethynyl]benzoic acid

Systemtic Name: 3-[2-[4-(2-ethoxy-2-oxidanylidene-ethyl)-3-fluoranyl-phenyl]ethynyl]benzoic acid Openeye Name: 3-[2-[4-(2-ethoxy-2-oxo-ethyl)-3-fluoro-phenyl]ethynyl]benzoic acid CAS Name: 3-[2-[4-(2-ethoxy-2-oxoethyl)-3-fluorophenyl]ethynyl]benzoic acid IUPAC Name: 3-[2-[4-(2-ethoxy-2-oxoethyl)-3-fluorophenyl]ethynyl]benzoic acid Traditional Name: 3-[2-[4-(2-ethoxy-2-keto-ethyl)-3-fluoro-phenyl]ethynyl]benzoic acid Formula: C19H15FO4 MolecularWeight: 326.318403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=C(C=C1)C#CC2=CC(=CC=C2)C(=O)O)F

Isomeric SMILES

CCOC(=O)CC1=C(C=C(C=C1)C#CC2=CC(=CC=C2)C(=O)O)F

InChI

InChI=1S/C19H15FO4/c1-2-24-18(21)12-15-9-8-14(11-17(15)20)7-6-13-4-3-5-16(10-13)19(22)23/h3-5,8-11H,2,12H2,1H3,(H,22,23)