sodium; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate; sulfurous acid

Systemtic Name: sodium; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate; sulfurous acid Openeye Name: sodium; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; sulfurous acid CAS Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; sulfurous acid IUPAC Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; sulfurous acid Traditional Name: sodium; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate; sulfurous acid Formula: C11H19N2NaO6S MolecularWeight: 330.33313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.OS(=O)O.[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.OS(=O)O.[Na+]

InChI

InChI=1S/C11H18N2O3.Na.H2O3S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;;1-4(2)3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);;(H2,1,2,3)/q;+1;/p-1