[3-(4-bromanyl-2-methylsulfonyloxy-5-oxidanyl-phenyl)-3-methyl-butyl] methanesulfonate

Systemtic Name: [3-(4-bromanyl-2-methylsulfonyloxy-5-oxidanyl-phenyl)-3-methyl-butyl] methanesulfonate Openeye Name: [3-(4-bromo-5-hydroxy-2-methylsulfonyloxy-phenyl)-3-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-bromo-5-hydroxy-2-methylsulfonyloxyphenyl)-3-methylbutyl] ester IUPAC Name: [3-(4-bromo-5-hydroxy-2-methylsulfonyloxyphenyl)-3-methylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-bromo-5-hydroxy-2-methylsulfonyloxy-phenyl)-3-methyl-butyl] ester Formula: C13H19BrO7S2 MolecularWeight: 431.31976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOS(=O)(=O)C)C1=CC(=C(C=C1OS(=O)(=O)C)Br)O

Isomeric SMILES

CC(C)(CCOS(=O)(=O)C)C1=CC(=C(C=C1OS(=O)(=O)C)Br)O

InChI

InChI=1S/C13H19BrO7S2/c1-13(2,5-6-20-22(3,16)17)9-7-11(15)10(14)8-12(9)21-23(4,18)19/h7-8,15H,5-6H2,1-4H3