4-(3-fluoranyl-4-oct-1-ynyl-phenyl)benzoic acid

Systemtic Name: 4-(3-fluoranyl-4-oct-1-ynyl-phenyl)benzoic acid Openeye Name: 4-(3-fluoro-4-oct-1-ynyl-phenyl)benzoic acid CAS Name: 4-(3-fluoro-4-oct-1-ynylphenyl)benzoic acid IUPAC Name: 4-(3-fluoro-4-oct-1-ynylphenyl)benzoic acid Traditional Name: 4-(3-fluoro-4-oct-1-ynyl-phenyl)benzoic acid Formula: C21H21FO2 MolecularWeight: 324.388643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

CCCCCCC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C21H21FO2/c1-2-3-4-5-6-7-8-17-11-14-19(15-20(17)22)16-9-12-18(13-10-16)21(23)24/h9-15H,2-6H2,1H3,(H,23,24)