4-methylbenzenesulfonate; (3-methyl-2-oxidanylidene-butyl)-di(propan-2-yl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (3-methyl-2-oxidanylidene-butyl)-di(propan-2-yl)sulfanium Openeye Name: diisopropyl-(3-methyl-2-oxo-butyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (3-methyl-2-oxobutyl)-di(propan-2-yl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; (3-methyl-2-oxobutyl)-di(propan-2-yl)sulfanium Traditional Name: diisopropyl-(2-keto-3-methyl-butyl)sulfonium tosylate Formula: C18H30O4S2 MolecularWeight: 374.5584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23OS.C7H8O3S/c1-8(2)11(12)7-13(9(3)4)10(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h8-10H,7H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1