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

Systemtic Name: 4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-bis[4-(pyridin-4-ylmethoxy)phenyl]sulfanium Openeye Name: bis[4-(4-pyridylmethoxy)phenyl]-(4-tetrahydrofuran-2-yloxyphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [4-(2-oxolanyloxy)phenyl]-bis[4-(pyridin-4-ylmethoxy)phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; [4-(oxolan-2-yloxy)phenyl]-bis[4-(pyridin-4-ylmethoxy)phenyl]sulfanium Traditional Name: bis[4-(4-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=NC=C4)C5=CC=C(C=C5)OCC6=CC=NC=C6

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=NC=C4)C5=CC=C(C=C5)OCC6=CC=NC=C6

InChI

InChI=1S/C34H31N2O4S.C7H8O3S/c1-2-34(37-23-1)40-30-7-13-33(14-8-30)41(31-9-3-28(4-10-31)38-24-26-15-19-35-20-16-26)32-11-5-29(6-12-32)39-25-27-17-21-36-22-18-27;1-6-2-4-7(5-3-6)11(8,9)10/h3-22,34H,1-2,23-25H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1