2-(4-hydroxyphenyl)ethyl-diphenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(4-hydroxyphenyl)ethyl-diphenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: 2-(4-hydroxyphenyl)ethyl-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 2-(4-hydroxyphenyl)ethyl-diphenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-(4-hydroxyphenyl)ethyl-diphenylsulfanium; 4-methylbenzenesulfonate Traditional Name: 2-(4-hydroxyphenyl)ethyl-diphenyl-sulfonium tosylate Formula: C27H26O4S2 MolecularWeight: 478.62294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](CCC2=CC=C(C=C2)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](CCC2=CC=C(C=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18OS.C7H8O3S/c21-18-13-11-17(12-14-18)15-16-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20;1-6-2-4-7(5-3-6)11(8,9)10/h1-14H,15-16H2;2-5H,1H3,(H,8,9,10)