2-acetyloxyethyl-(hexoxymethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate

Systemtic Name: 2-acetyloxyethyl-(hexoxymethyl)-dimethyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: 2-acetoxyethyl-(hexoxymethyl)-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: 2-acetyloxyethyl-(hexoxymethyl)-dimethylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: 2-acetyloxyethyl-(hexoxymethyl)-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: 2-acetoxyethyl-(hexoxymethyl)-dimethyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C17H32N2O7S MolecularWeight: 408.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC[N+](C)(C)CCOC(=O)C.CC1=CC(=NS(=O)(=O)O1)[O-]

Isomeric SMILES

CCCCCCOC[N+](C)(C)CCOC(=O)C.CC1=CC(=NS(=O)(=O)O1)[O-]

InChI

InChI=1S/C13H28NO3.C4H5NO4S/c1-5-6-7-8-10-16-12-14(3,4)9-11-17-13(2)15;1-3-2-4(6)5-10(7,8)9-3/h5-12H2,1-4H3;2H,1H3,(H,5,6)/q+1;/p-1