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

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylidenehexyl-di(propan-2-yl)sulfanium Openeye Name: diisopropyl(2-oxohexyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-oxohexyl-di(propan-2-yl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; 2-oxohexyl-di(propan-2-yl)sulfanium Traditional Name: diisopropyl(2-ketohexyl)sulfonium tosylate Formula: C19H32O4S2 MolecularWeight: 388.58498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25OS.C7H8O3S/c1-6-7-8-12(13)9-14(10(2)3)11(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h10-11H,6-9H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1