ethyl 4-(3-fluoranyl-4-oct-1-ynyl-phenyl)benzoate

Systemtic Name: ethyl 4-(3-fluoranyl-4-oct-1-ynyl-phenyl)benzoate Openeye Name: ethyl 4-(3-fluoro-4-oct-1-ynyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-oct-1-ynylphenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-fluoro-4-oct-1-ynylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-oct-1-ynyl-phenyl)benzoic acid ethyl ester Formula: C23H25FO2 MolecularWeight: 352.441803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FO2/c1-3-5-6-7-8-9-10-19-13-16-21(17-22(19)24)18-11-14-20(15-12-18)23(25)26-4-2/h11-17H,3-8H2,1-2H3