2,4-dimethylbenzenesulfonate; tripyridin-2-ylsulfanium

Systemtic Name: 2,4-dimethylbenzenesulfonate; tripyridin-2-ylsulfanium Openeye Name: 2,4-dimethylbenzenesulfonate; tris(2-pyridyl)sulfonium CAS Name: 2,4-dimethylbenzenesulfonate; tris(2-pyridinyl)sulfonium IUPAC Name: 2,4-dimethylbenzenesulfonate; tripyridin-2-ylsulfanium Traditional Name: 2,4-dimethylbesylate; tris(2-pyridyl)sulfonium Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.C1=CC=NC(=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.C1=CC=NC(=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

InChI

InChI=1S/C15H12N3S.C8H10O3S/c1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;1-6-3-4-8(7(2)5-6)12(9,10)11/h1-12H;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1