(4-bromophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-bromophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (4-bromophenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (4-bromobenzyl) ester Formula: C16H15BrO4S MolecularWeight: 383.2569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrO4S/c1-11-3-8-14(22(2,19)20)9-15(11)16(18)21-10-12-4-6-13(17)7-5-12/h3-9H,10H2,1-2H3