bis[4-(1-ethoxyethoxy)phenyl]-[3-(pyridin-2-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis[4-(1-ethoxyethoxy)phenyl]-[3-(pyridin-2-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: bis[4-(1-ethoxyethoxy)phenyl]-[3-(2-pyridylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate CAS Name: bis[4-(1-ethoxyethoxy)phenyl]-[3-(2-pyridinylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(1-ethoxyethoxy)phenyl]-[3-(pyridin-2-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: bis[4-(1-ethoxyethoxy)phenyl]-[3-(2-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)OC(C)OCC)C3=CC=CC(=C3)OCC4=CC=CC=N4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)OCC)C3=CC=CC(=C3)OCC4=CC=CC=N4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

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