4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-dipyridin-2-yl-sulfanium

Systemtic Name: 4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-dipyridin-2-yl-sulfanium Openeye Name: bis(2-pyridyl)-(4-tetrahydrofuran-2-yloxyphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-(2-oxolanyloxy)phenyl]-bis(2-pyridinyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-dipyridin-2-ylsulfanium Traditional Name: bis(2-pyridyl)-[4-(tetrahydrofuryloxy)phenyl]sulfonium tosylate Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(OC1)OC2=CC=C(C=C2)[S+](C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(OC1)OC2=CC=C(C=C2)[S+](C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C20H19N2O2S.C7H8O3S/c1-3-13-21-18(6-1)25(19-7-2-4-14-22-19)17-11-9-16(10-12-17)24-20-8-5-15-23-20;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6-7,9-14,20H,5,8,15H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1