4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium

Systemtic Name: 4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium Openeye Name: bis[4-(2-pyridylmethoxy)phenyl]-(4-tetrahydrofuran-2-yloxyphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-(2-oxolanyloxy)phenyl]-bis[4-(2-pyridinylmethoxy)phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium Traditional Name: bis[4-(2-pyridylmethoxy)phenyl]-[4-(tetrahydrofuryloxy)phenyl]sulfonium tosylate Formula: C41H38N2O7S2 MolecularWeight: 734.87962

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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=C(C=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)OCC6=CC=CC=N6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(OC1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)OCC6=CC=CC=N6

InChI

InChI=1S/C34H31N2O4S.C7H8O3S/c1-3-21-35-26(6-1)24-38-28-9-15-31(16-10-28)41(33-19-13-30(14-20-33)40-34-8-5-23-37-34)32-17-11-29(12-18-32)39-25-27-7-2-4-22-36-27;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6-7,9-22,34H,5,8,23-25H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1