2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2H-1,3-benzothiazol-3-ium 1,1,3-trioxide

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2H-1,3-benzothiazol-3-ium 1,1,3-trioxide Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-2H-1,3-benzothiazol-3-ium 1,1,3-trioxide CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-2H-1,3-benzothiazol-3-ium 1,1,3-trioxide IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-2H-1,3-benzothiazol-3-ium 1,1,3-trioxide Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-2H-1,3-benzothiazol-3-ium 1,1,3-trioxide Formula: C14H10BrFNO3S+ MolecularWeight: 371.201503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=O)C(S2(=O)=O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=O)C(S2(=O)=O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C14H10BrFNO3S/c15-10-6-5-9(11(16)8-10)7-14-17(18)12-3-1-2-4-13(12)21(14,19)20/h1-6,8,14H,7H2/q+1