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

Systemtic Name: 4-[2-(4-decoxy-3-fluoranyl-phenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-decoxy-3-fluoro-phenyl)ethynyl]benzoic acid CAS Name: 4-[2-(4-decoxy-3-fluorophenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4-decoxy-3-fluorophenyl)ethynyl]benzoic acid Traditional Name: 4-[2-(4-decoxy-3-fluoro-phenyl)ethynyl]benzoic acid Formula: C25H29FO3 MolecularWeight: 396.494363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C25H29FO3/c1-2-3-4-5-6-7-8-9-18-29-24-17-14-21(19-23(24)26)11-10-20-12-15-22(16-13-20)25(27)28/h12-17,19H,2-9,18H2,1H3,(H,27,28)