tert-butyl-methyl-(2-oxidanylidenepentyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: tert-butyl-methyl-(2-oxidanylidenepentyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: tert-butyl-methyl-(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate CAS Name: tert-butyl-methyl-(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: tert-butyl-methyl-(2-oxopentyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: tert-butyl-(2-ketopentyl)-methyl-sulfonium tosylate Formula: C17H28O4S2 MolecularWeight: 360.53182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21OS.C7H8O3S/c1-6-7-9(11)8-12(5)10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1