(3,3-dimethyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate; thiolan-1-ium

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate; thiolan-1-ium Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methylbenzenesulfonate; tetrahydrothiophen-1-ium CAS Name: 4-methylbenzenesulfonic acid (3,3-dimethyl-2-oxobutyl) ester; thiolan-1-ium IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methylbenzenesulfonate; thiolan-1-ium Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3,3-dimethyl-butyl) ester; tetrahydrothiophen-1-ium Formula: C17H27O4S2+ MolecularWeight: 359.52388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(C)(C)C.C1CC[SH+]C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(C)(C)C.C1CC[SH+]C1

InChI

InChI=1S/C13H18O4S.C4H8S/c1-10-5-7-11(8-6-10)18(15,16)17-9-12(14)13(2,3)4;1-2-4-5-3-1/h5-8H,9H2,1-4H3;1-4H2/p+1