4-methylbenzenesulfonate bromide

Systemtic Name: 4-methylbenzenesulfonate bromide Openeye Name: 4-methylbenzenesulfonate bromide CAS Name: 4-methylbenzenesulfonate bromide IUPAC Name: 4-methylbenzenesulfonate bromide Traditional Name: bromide tosylate Formula: C7H7BrO3S-2 MolecularWeight: 251.09768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].[Br-]

InChI

InChI=1S/C7H8O3S.BrH/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H/p-2