2,2-dimethyl-5-(1-methylsulfanyl-2-nitro-ethylidene)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(1-methylsulfanyl-2-nitro-ethylidene)-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(1-methylsulfanyl-2-nitro-ethylidene)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[1-(methylthio)-2-nitroethylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(1-methylsulfanyl-2-nitroethylidene)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[1-(methylthio)-2-nitro-ethylidene]-1,3-dioxane-4,6-quinone Formula: C9H11NO6S MolecularWeight: 261.25174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(C[N+](=O)[O-])SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(C[N+](=O)[O-])SC)C(=O)O1)C

InChI

InChI=1S/C9H11NO6S/c1-9(2)15-7(11)6(8(12)16-9)5(17-3)4-10(13)14/h4H2,1-3H3