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

Systemtic Name: (4-butoxyphenyl)-diphenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (4-butoxyphenyl)-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (4-butoxyphenyl)-diphenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (4-butoxyphenyl)-diphenylsulfanium; 4-methylbenzenesulfonate Traditional Name: (4-butoxyphenyl)-diphenyl-sulfonium tosylate Formula: C29H30O4S2 MolecularWeight: 506.6761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H23OS.C7H8O3S/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,2-3,18H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1