methyl 4-(bromomethyl)-2-(4-fluorophenyl)benzoate; triphenylphosphanium

Systemtic Name: methyl 4-(bromomethyl)-2-(4-fluorophenyl)benzoate; triphenylphosphanium Openeye Name: methyl 4-(bromomethyl)-2-(4-fluorophenyl)benzoate; triphenylphosphonium CAS Name: 4-(bromomethyl)-2-(4-fluorophenyl)benzoic acid methyl ester; triphenylphosphonium IUPAC Name: methyl 4-(bromomethyl)-2-(4-fluorophenyl)benzoate; triphenylphosphanium Traditional Name: 4-(bromomethyl)-2-(4-fluorophenyl)benzoic acid methyl ester; triphenylphosphonium Formula: C33H28BrFO2P+ MolecularWeight: 586.450384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CBr)C2=CC=C(C=C2)F.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CBr)C2=CC=C(C=C2)F.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C15H12BrFO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-19-15(18)13-7-2-10(9-16)8-14(13)11-3-5-12(17)6-4-11/h1-15H;2-8H,9H2,1H3/p+1