(2-bromanyl-4-methyl-phenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C14H13BrO5S2 MolecularWeight: 405.28402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrO5S2/c1-10-3-8-14(13(15)9-10)20-22(18,19)12-6-4-11(5-7-12)21(2,16)17/h3-9H,1-2H3