copper; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-one; trihydrate

Systemtic Name: copper; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-one; trihydrate Openeye Name: copper; 6-methyl-2,2-dioxo-oxathiazin-4-one; trihydrate CAS Name: copper; 6-methyl-2,2-dioxo-4-oxathiazinone; trihydrate IUPAC Name: copper; 6-methyl-2,2-dioxooxathiazin-4-one; trihydrate Traditional Name: copper; 2,2-diketo-6-methyl-oxathiazin-4-one; trihydrate Formula: C8H16CuN2O11S2 MolecularWeight: 443.89544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NS(=O)(=O)O1.CC1=CC(=O)NS(=O)(=O)O1.O.O.O.[Cu]

Isomeric SMILES

CC1=CC(=O)NS(=O)(=O)O1.CC1=CC(=O)NS(=O)(=O)O1.O.O.O.[Cu]

InChI

InChI=1S/2C4H5NO4S.Cu.3H2O/c2*1-3-2-4(6)5-10(7,8)9-3;;;;/h2*2H,1H3,(H,5,6);;3*1H2