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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO6S/c1-9(2)15-7(11)6(8(12)16-9)5(17-3)4-10(13)14/h4,6H,1-3H3