3,3-dimethyl-1,2,3-oxathiaziridin-3-ium 2,2-dioxide; 2-phenylbutanoate

Systemtic Name: 3,3-dimethyl-1,2,3-oxathiaziridin-3-ium 2,2-dioxide; 2-phenylbutanoate Openeye Name: 3,3-dimethyloxathiaziridin-3-ium 2,2-dioxide; 2-phenylbutanoate CAS Name: 3,3-dimethyloxathiaziridin-3-ium 2,2-dioxide; 2-phenylbutanoate IUPAC Name: 3,3-dimethyloxathiaziridin-3-ium 2,2-dioxide; 2-phenylbutanoate Traditional Name: 3,3-dimethyloxathiaziridin-3-ium 2,2-dioxide; 2-phenylbutyrate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)[O-].C[N+]1(OS1(=O)=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)[O-].C[N+]1(OS1(=O)=O)C

InChI

InChI=1S/C10H12O2.C2H6NO3S/c1-2-9(10(11)12)8-6-4-3-5-7-8;1-3(2)6-7(3,4)5/h3-7,9H,2H2,1H3,(H,11,12);1-2H3/q;+1/p-1