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

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylidenepropyl-di(propan-2-yl)sulfanium Openeye Name: acetonyl(diisopropyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-oxopropyl-di(propan-2-yl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; 2-oxopropyl-di(propan-2-yl)sulfanium Traditional Name: acetonyl(diisopropyl)sulfonium tosylate Formula: C16H26O4S2 MolecularWeight: 346.50524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19OS.C7H8O3S/c1-7(2)11(8(3)4)6-9(5)10;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,6H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1