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

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylidenepentyl-di(propan-2-yl)sulfanium Openeye Name: diisopropyl(2-oxopentyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-oxopentyl-di(propan-2-yl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; 2-oxopentyl-di(propan-2-yl)sulfanium Traditional Name: diisopropyl(2-ketopentyl)sulfonium tosylate Formula: C18H30O4S2 MolecularWeight: 374.5584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C11H23OS.C7H8O3S/c1-6-7-11(12)8-13(9(2)3)10(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h9-10H,6-8H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1