3-phenyl-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-phenyl-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazol-3-ium Openeye Name: 3-phenyl-2-(tribromomethylsulfonyl)-1,3-benzothiazol-3-ium CAS Name: 3-phenyl-2-(tribromomethylsulfonyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-phenyl-2-(tribromomethylsulfonyl)-1,3-benzothiazol-3-ium Traditional Name: 3-phenyl-2-(tribromomethylsulfonyl)-1,3-benzothiazol-3-ium Formula: C14H9Br3NO2S2+ MolecularWeight: 527.06876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(SC3=CC=CC=C32)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(SC3=CC=CC=C32)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C14H9Br3NO2S2/c15-14(16,17)22(19,20)13-18(10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-13/h1-9H/q+1