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

Systemtic Name: bis[4-(oxan-2-yloxy)phenyl]-pyridin-2-yl-sulfanium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; 2-pyridyl-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium CAS Name: bis[4-(2-oxanyloxy)phenyl]-(2-pyridinyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(oxan-2-yloxy)phenyl]-pyridin-2-ylsulfanium; 4-methylbenzenesulfonate Traditional Name: 2-pyridyl-bis(4-tetrahydropyran-2-yloxyphenyl)sulfonium tosylate Formula: C34H37NO7S2 MolecularWeight: 635.79008

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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=N5

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=N5

InChI

InChI=1S/C27H30NO4S.C7H8O3S/c1-4-18-28-25(7-1)33(23-14-10-21(11-15-23)31-26-8-2-5-19-29-26)24-16-12-22(13-17-24)32-27-9-3-6-20-30-27;1-6-2-4-7(5-3-6)11(8,9)10/h1,4,7,10-18,26-27H,2-3,5-6,8-9,19-20H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1