(5-bromanyl-2-methoxy-phenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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