[2-bromanyl-3,6-dimethoxy-5-[4-(trifluoromethyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [2-bromanyl-3,6-dimethoxy-5-[4-(trifluoromethyl)phenyl]phenyl] methanesulfonate Openeye Name: [2-bromo-3,6-dimethoxy-5-[4-(trifluoromethyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-bromo-3,6-dimethoxy-5-[4-(trifluoromethyl)phenyl]phenyl] ester IUPAC Name: [2-bromo-3,6-dimethoxy-5-[4-(trifluoromethyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-bromo-3,6-dimethoxy-5-[4-(trifluoromethyl)phenyl]phenyl] ester Formula: C16H14BrF3O5S MolecularWeight: 455.24357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)OC)OS(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)OC)OS(=O)(=O)C)Br

InChI

InChI=1S/C16H14BrF3O5S/c1-23-12-8-11(9-4-6-10(7-5-9)16(18,19)20)14(24-2)15(13(12)17)25-26(3,21)22/h4-8H,1-3H3