2,4-dimethylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-dipyridin-2-yl-sulfanium

Systemtic Name: 2,4-dimethylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-dipyridin-2-yl-sulfanium Openeye Name: (4-tert-butoxyphenyl)-bis(2-pyridyl)sulfonium; 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-bis(2-pyridinyl)sulfonium IUPAC Name: 2,4-dimethylbenzenesulfonate; [4-[(2-methylpropan-2-yl)oxy]phenyl]-dipyridin-2-ylsulfanium Traditional Name: (4-tert-butoxyphenyl)-bis(2-pyridyl)sulfonium; 2,4-dimethylbesylate Formula: C28H30N2O4S2 MolecularWeight: 522.6788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=CC=N2)C3=CC=CC=N3

InChI

InChI=1S/C20H21N2OS.C8H10O3S/c1-20(2,3)23-16-10-12-17(13-11-16)24(18-8-4-6-14-21-18)19-9-5-7-15-22-19;1-6-3-4-8(7(2)5-6)12(9,10)11/h4-15H,1-3H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1