benzenesulfonate; tripyridin-3-ylsulfanium

Systemtic Name: benzenesulfonate; tripyridin-3-ylsulfanium Openeye Name: benzenesulfonate; tris(3-pyridyl)sulfonium CAS Name: benzenesulfonate; tris(3-pyridinyl)sulfonium IUPAC Name: benzenesulfonate; tripyridin-3-ylsulfanium Traditional Name: tris(3-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(=CN=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CN=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

InChI

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