benzenesulfonate; tripyridin-2-ylsulfanium

Systemtic Name: benzenesulfonate; tripyridin-2-ylsulfanium Openeye Name: benzenesulfonate; tris(2-pyridyl)sulfonium CAS Name: benzenesulfonate; tris(2-pyridinyl)sulfonium IUPAC Name: benzenesulfonate; tripyridin-2-ylsulfanium Traditional Name: tris(2-pyridyl)sulfonium besylate Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=NC(=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=NC(=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

InChI

InChI=1S/C15H12N3S.C6H6O3S/c1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;7-10(8,9)6-4-2-1-3-5-6/h1-12H;1-5H,(H,7,8,9)/q+1;/p-1