4-bromanyl-3-nitro-benzenesulfonate; thallium(1+)

Systemtic Name: 4-bromanyl-3-nitro-benzenesulfonate; thallium(1+) Openeye Name: 4-bromo-3-nitro-benzenesulfonate; thallium(1+) CAS Name: 4-bromo-3-nitrobenzenesulfonate; thallium(1+) IUPAC Name: 4-bromo-3-nitrobenzenesulfonate; thallium(1+) Traditional Name: 4-bromo-3-nitro-besylate; thallium(1+) Formula: C6H3BrNO5STl MolecularWeight: 485.44402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Br.[Tl+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Br.[Tl+]

InChI

InChI=1S/C6H4BrNO5S.Tl/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1