(2-bromanyl-4-methyl-phenyl)sulfanylmethanesulfonic acid

Systemtic Name: (2-bromanyl-4-methyl-phenyl)sulfanylmethanesulfonic acid Openeye Name: (2-bromo-4-methyl-phenyl)sulfanylmethanesulfonic acid CAS Name: [(2-bromo-4-methylphenyl)thio]methanesulfonic acid IUPAC Name: (2-bromo-4-methylphenyl)sulfanylmethanesulfonic acid Traditional Name: [(2-bromo-4-methyl-phenyl)thio]methanesulfonic acid Formula: C8H9BrO3S2 MolecularWeight: 297.18926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCS(=O)(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)SCS(=O)(=O)O)Br

InChI

InChI=1S/C8H9BrO3S2/c1-6-2-3-8(7(9)4-6)13-5-14(10,11)12/h2-4H,5H2,1H3,(H,10,11,12)