benzenesulfonate; 5-(3-fluorophenyl)-1,3-dimethyl-1,2,3,4-tetrazol-1-ium

Systemtic Name: benzenesulfonate; 5-(3-fluorophenyl)-1,3-dimethyl-1,2,3,4-tetrazol-1-ium Openeye Name: benzenesulfonate; 5-(3-fluorophenyl)-1,3-dimethyl-tetrazol-1-ium CAS Name: benzenesulfonate; 5-(3-fluorophenyl)-1,3-dimethyltetrazol-1-ium IUPAC Name: benzenesulfonate; 5-(3-fluorophenyl)-1,3-dimethyltetrazol-1-ium Traditional Name: 5-(3-fluorophenyl)-1,3-dimethyl-tetrazol-1-ium besylate Formula: C15H15FN4O3S MolecularWeight: 350.368003

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C([N+](=N1)C)C2=CC(=CC=C2)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CN1N=C([N+](=N1)C)C2=CC(=CC=C2)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H10FN4.C6H6O3S/c1-13-9(11-14(2)12-13)7-4-3-5-8(10)6-7;7-10(8,9)6-4-2-1-3-5-6/h3-6H,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1