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

Systemtic Name: (4-hydroxyphenyl)-diphenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (4-hydroxyphenyl)-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (4-hydroxyphenyl)-diphenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (4-hydroxyphenyl)-diphenylsulfanium; 4-methylbenzenesulfonate Traditional Name: (4-hydroxyphenyl)-diphenyl-sulfonium tosylate Formula: C25H22O4S2 MolecularWeight: 450.56978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14OS.C7H8O3S/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-14H;2-5H,1H3,(H,8,9,10)