bis[4-(oxan-2-yloxy)phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis[4-(oxan-2-yloxy)phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; [3-(4-pyridylmethoxy)phenyl]-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium CAS Name: bis[4-(2-oxanyloxy)phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(oxan-2-yloxy)phenyl]-[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [3-(4-pyridylmethoxy)phenyl]-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C41H43NO8S2 MolecularWeight: 741.91202

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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)OC4CCCCO4)C5=CC=CC(=C5)OCC6=CC=NC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCOC(C1)OC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)OC4CCCCO4)C5=CC=CC(=C5)OCC6=CC=NC=C6

InChI

InChI=1S/C34H36NO5S.C7H8O3S/c1-3-22-36-33(8-1)39-27-10-14-30(15-11-27)41(31-16-12-28(13-17-31)40-34-9-2-4-23-37-34)32-7-5-6-29(24-32)38-25-26-18-20-35-21-19-26;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10-21,24,33-34H,1-4,8-9,22-23,25H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1