ethyl-methyl-propyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-methyl-propyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: ethyl-methyl-propyl-sulfonium; 4-methylbenzenesulfonate CAS Name: ethyl-methyl-propylsulfonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-methyl-propylsulfanium; 4-methylbenzenesulfonate Traditional Name: ethyl-methyl-propyl-sulfonium tosylate Formula: C13H22O3S2 MolecularWeight: 290.44198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H15S/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-6-7(3)5-2/h2-5H,1H3,(H,8,9,10);4-6H2,1-3H3/q;+1/p-1