3-bromanyl-4-methyl-benzenesulfonic acid

Systemtic Name: 3-bromanyl-4-methyl-benzenesulfonic acid Openeye Name: 3-bromo-4-methyl-benzenesulfonic acid CAS Name: 3-bromo-4-methylbenzenesulfonic acid IUPAC Name: 3-bromo-4-methylbenzenesulfonic acid Traditional Name: 3-bromo-4-methyl-besylic acid Formula: C7H7BrO3S MolecularWeight: 251.09768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)Br

InChI

InChI=1S/C7H7BrO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H,9,10,11)