tert-butyl-methyl-(3-methyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: tert-butyl-methyl-(3-methyl-2-oxidanylidene-butyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: tert-butyl-methyl-(3-methyl-2-oxo-butyl)sulfonium; 4-methylbenzenesulfonate CAS Name: tert-butyl-methyl-(3-methyl-2-oxobutyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: tert-butyl-methyl-(3-methyl-2-oxobutyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: tert-butyl-(2-keto-3-methyl-butyl)-methyl-sulfonium tosylate Formula: C17H28O4S2 MolecularWeight: 360.53182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21OS.C7H8O3S/c1-8(2)9(11)7-12(6)10(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h8H,7H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1