(4-bromophenyl) 4-methyl-3-methylsulfonyl-benzoate

Systemtic Name: (4-bromophenyl) 4-methyl-3-methylsulfonyl-benzoate Openeye Name: (4-bromophenyl) 4-methyl-3-methylsulfonyl-benzoate CAS Name: 4-methyl-3-methylsulfonylbenzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-methyl-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-methyl-benzoic acid (4-bromophenyl) ester Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C15H13BrO4S/c1-10-3-4-11(9-14(10)21(2,18)19)15(17)20-13-7-5-12(16)6-8-13/h3-9H,1-2H3