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

Systemtic Name: bis[4-(oxan-2-yloxy)phenyl]-[4-(pyridin-2-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; [4-(2-pyridylmethoxy)phenyl]-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium CAS Name: bis[4-(2-oxanyloxy)phenyl]-[4-(2-pyridinylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(oxan-2-yloxy)phenyl]-[4-(pyridin-2-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [4-(2-pyridylmethoxy)phenyl]-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C41H43NO8S2 MolecularWeight: 741.91202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCOC(C1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)OC6CCCCO6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCOC(C1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)OC6CCCCO6

InChI

InChI=1S/C34H36NO5S.C7H8O3S/c1-4-22-35-26(7-1)25-38-27-10-16-30(17-11-27)41(31-18-12-28(13-19-31)39-33-8-2-5-23-36-33)32-20-14-29(15-21-32)40-34-9-3-6-24-37-34;1-6-2-4-7(5-3-6)11(8,9)10/h1,4,7,10-22,33-34H,2-3,5-6,8-9,23-25H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1