methyl 4-[3-(4-fluorophenyl)-3-oxidanyl-prop-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-(4-fluorophenyl)-3-oxidanyl-prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(4-fluorophenyl)-3-hydroxy-prop-1-ynyl]benzoate CAS Name: 4-[3-(4-fluorophenyl)-3-hydroxyprop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-fluorophenyl)-3-hydroxyprop-1-ynyl]benzoate Traditional Name: 4-[3-(4-fluorophenyl)-3-hydroxy-prop-1-ynyl]benzoic acid methyl ester Formula: C17H13FO3 MolecularWeight: 284.281723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FO3/c1-21-17(20)14-5-2-12(3-6-14)4-11-16(19)13-7-9-15(18)10-8-13/h2-3,5-10,16,19H,1H3