(3-bromanyl-4-methoxy-phenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=C2S(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=CC=C2S(=O)(=O)C)Br

InChI

InChI=1S/C16H15BrO5S/c1-21-14-8-7-11(9-13(14)17)10-22-16(18)12-5-3-4-6-15(12)23(2,19)20/h3-9H,10H2,1-2H3