(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H16BrFO4S MolecularWeight: 415.273943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H16BrFO4S/c1-12-2-6-15(7-3-12)24(21,22)9-8-17(20)23-11-13-4-5-14(18)10-16(13)19/h2-7,10H,8-9,11H2,1H3