4-bromanylbenzenesulfonate; 4-methylbenzenesulfonate

Systemtic Name: 4-bromanylbenzenesulfonate; 4-methylbenzenesulfonate Openeye Name: 4-bromobenzenesulfonate; 4-methylbenzenesulfonate CAS Name: 4-bromobenzenesulfonate; 4-methylbenzenesulfonate IUPAC Name: 4-bromobenzenesulfonate; 4-methylbenzenesulfonate Traditional Name: brosylate tosylate Formula: C13H11BrO6S2-2 MolecularWeight: 407.25684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1S(=O)(=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1S(=O)(=O)[O-])Br

InChI

InChI=1S/C7H8O3S.C6H5BrO3S/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-1-3-6(4-2-5)11(8,9)10/h2-5H,1H3,(H,8,9,10);1-4H,(H,8,9,10)/p-2