3-chloranylpropyl(diphenyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: 3-chloranylpropyl(diphenyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: 3-chloropropyl(diphenyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 3-chloropropyl(diphenyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: 3-chloropropyl(diphenyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: 3-chloropropyl(diphenyl)sulfonium tosylate Formula: C22H23ClO3S2 MolecularWeight: 434.99922

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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+](CCCCl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClS.C7H8O3S/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8-11H,7,12-13H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1