4-methylbenzenesulfonate; 2-oxidanylidenebutyl-di(propan-2-yl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylidenebutyl-di(propan-2-yl)sulfanium Openeye Name: diisopropyl(2-oxobutyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-oxobutyl-di(propan-2-yl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; 2-oxobutyl-di(propan-2-yl)sulfanium Traditional Name: diisopropyl(2-ketobutyl)sulfonium tosylate Formula: C17H28O4S2 MolecularWeight: 360.53182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21OS.C7H8O3S/c1-6-10(11)7-12(8(2)3)9(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h8-9H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1