(3-bromophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (3-bromophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (3-bromophenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (3-bromobenzyl) ester Formula: C17H17BrO4S MolecularWeight: 397.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrO4S/c1-13-5-7-16(8-6-13)23(20,21)10-9-17(19)22-12-14-3-2-4-15(18)11-14/h2-8,11H,9-10,12H2,1H3