(3-bromanyl-4-methoxy-phenyl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)Br

InChI

InChI=1S/C17H17BrO5S/c1-22-16-7-6-12(9-15(16)18)10-23-17(19)14-5-3-4-13(8-14)11-24(2,20)21/h3-9H,10-11H2,1-2H3