iron(2+); 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate

Systemtic Name: iron(2+); 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: ferrous 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: iron(2+); 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: iron(2+); 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: ferrous 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C8H8FeN2O8S2 MolecularWeight: 380.13272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NS(=O)(=O)O1)[O-].CC1=CC(=NS(=O)(=O)O1)[O-].[Fe+2]

Isomeric SMILES

CC1=CC(=NS(=O)(=O)O1)[O-].CC1=CC(=NS(=O)(=O)O1)[O-].[Fe+2]

InChI

InChI=1S/2C4H5NO4S.Fe/c2*1-3-2-4(6)5-10(7,8)9-3;/h2*2H,1H3,(H,5,6);/q;;+2/p-2