bis[4-(1-ethoxyethoxy)phenyl]-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis[4-(1-ethoxyethoxy)phenyl]-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: bis[4-(1-ethoxyethoxy)phenyl]-[4-(4-pyridylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate CAS Name: bis[4-(1-ethoxyethoxy)phenyl]-[4-(pyridin-4-ylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(1-ethoxyethoxy)phenyl]-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: bis[4-(1-ethoxyethoxy)phenyl]-[4-(4-pyridylmethoxy)phenyl]sulfonium tosylate Formula: C39H43NO8S2 MolecularWeight: 717.89062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCC3=CC=NC=C3)C4=CC=C(C=C4)OC(C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCC3=CC=NC=C3)C4=CC=C(C=C4)OC(C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H36NO5S.C7H8O3S/c1-5-34-24(3)37-28-9-15-31(16-10-28)39(32-17-11-29(12-18-32)38-25(4)35-6-2)30-13-7-27(8-14-30)36-23-26-19-21-33-22-20-26;1-6-2-4-7(5-3-6)11(8,9)10/h7-22,24-25H,5-6,23H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1