2,4-dimethylbenzenesulfonate; tripyridin-3-ylsulfanium

Systemtic Name: 2,4-dimethylbenzenesulfonate; tripyridin-3-ylsulfanium Openeye Name: 2,4-dimethylbenzenesulfonate; tris(3-pyridyl)sulfonium CAS Name: 2,4-dimethylbenzenesulfonate; tris(3-pyridinyl)sulfonium IUPAC Name: 2,4-dimethylbenzenesulfonate; tripyridin-3-ylsulfanium Traditional Name: 2,4-dimethylbesylate; tris(3-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(=CN=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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