[4-(1-ethoxyethoxy)phenyl]-bis[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [4-(1-ethoxyethoxy)phenyl]-bis[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: [4-(1-ethoxyethoxy)phenyl]-bis[3-(4-pyridylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate CAS Name: [4-(1-ethoxyethoxy)phenyl]-bis[3-(pyridin-4-ylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: [4-(1-ethoxyethoxy)phenyl]-bis[3-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [4-(1-ethoxyethoxy)phenyl]-bis[3-(4-pyridylmethoxy)phenyl]sulfonium tosylate Formula: C41H40N2O7S2 MolecularWeight: 736.8955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC1=CC=C(C=C1)[S+](C2=CC=CC(=C2)OCC3=CC=NC=C3)C4=CC=CC(=C4)OCC5=CC=NC=C5.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(C)OC1=CC=C(C=C1)[S+](C2=CC=CC(=C2)OCC3=CC=NC=C3)C4=CC=CC(=C4)OCC5=CC=NC=C5.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H33N2O4S.C7H8O3S/c1-3-37-26(2)40-29-10-12-32(13-11-29)41(33-8-4-6-30(22-33)38-24-27-14-18-35-19-15-27)34-9-5-7-31(23-34)39-25-28-16-20-36-21-17-28;1-6-2-4-7(5-3-6)11(8,9)10/h4-23,26H,3,24-25H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1