4-bromanyl-2-methyl-benzenesulfonic acid

Systemtic Name: 4-bromanyl-2-methyl-benzenesulfonic acid Openeye Name: 4-bromo-2-methyl-benzenesulfonic acid CAS Name: 4-bromo-2-methylbenzenesulfonic acid IUPAC Name: 4-bromo-2-methylbenzenesulfonic acid Traditional Name: 4-bromo-2-methyl-besylic acid Formula: C7H7BrO3S MolecularWeight: 251.09768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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