3-methyl-3-nitro-1-oxidanylidene-thietane-2,4-diol

Systemtic Name: 3-methyl-3-nitro-1-oxidanylidene-thietane-2,4-diol Openeye Name: 3-methyl-3-nitro-1-oxo-thietane-2,4-diol CAS Name: 3-methyl-3-nitro-1-oxothietane-2,4-diol IUPAC Name: 3-methyl-3-nitro-1-oxothietane-2,4-diol Traditional Name: 1-keto-3-methyl-3-nitro-thietane-2,4-diol Formula: C4H7NO5S MolecularWeight: 181.16708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(S(=O)C1O)O)[N+](=O)[O-]

Isomeric SMILES

CC1(C(S(=O)C1O)O)[N+](=O)[O-]

InChI

InChI=1S/C4H7NO5S/c1-4(5(8)9)2(6)11(10)3(4)7/h2-3,6-7H,1H3