4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-dipyridin-3-yl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-dipyridin-3-yl-sulfanium Openeye Name: (4-tert-butoxyphenyl)-bis(3-pyridyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-bis(3-pyridinyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-dipyridin-3-ylsulfanium Traditional Name: (4-tert-butoxyphenyl)-bis(3-pyridyl)sulfonium tosylate Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CN=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H21N2OS.C7H8O3S/c1-20(2,3)23-16-8-10-17(11-9-16)24(18-6-4-12-21-14-18)19-7-5-13-22-15-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-15H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1