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

Systemtic Name: sodium; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate; 1-phosphonoethenylphosphonic acid Openeye Name: sodium; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; 1-phosphonovinylphosphonic acid CAS Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; 1-phosphonoethenylphosphonic acid IUPAC Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; 1-phosphonoethenylphosphonic acid Traditional Name: sodium; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate; 1-phosphonovinylphosphonic acid Formula: C13H23N2NaO9P2 MolecularWeight: 436.267012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.C2H6O6P2.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;1-2(9(3,4)5)10(6,7)8;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);1H2,(H2,3,4,5)(H2,6,7,8);/q;;+1/p-1