sodium 3-bromanyl-4-(trifluoromethyl)benzenesulfonate

Systemtic Name: sodium 3-bromanyl-4-(trifluoromethyl)benzenesulfonate Openeye Name: sodium 3-bromo-4-(trifluoromethyl)benzenesulfonate CAS Name: sodium 3-bromo-4-(trifluoromethyl)benzenesulfonate IUPAC Name: sodium 3-bromo-4-(trifluoromethyl)benzenesulfonate Traditional Name: sodium 3-bromo-4-(trifluoromethyl)besylate Formula: C7H3BrF3NaO3S MolecularWeight: 327.0509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])Br)C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])Br)C(F)(F)F.[Na+]

InChI

InChI=1S/C7H4BrF3O3S.Na/c8-6-3-4(15(12,13)14)1-2-5(6)7(9,10)11;/h1-3H,(H,12,13,14);/q;+1/p-1