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

Systemtic Name: sodium; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate; pentylphosphonic acid Openeye Name: sodium; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; pentylphosphonic acid CAS Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; pentylphosphonic acid IUPAC Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; pentylphosphonic acid Traditional Name: sodium; amylphosphonic acid; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C16H30N2NaO6P MolecularWeight: 400.382731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.C5H13O3P.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;1-2-3-4-5-9(6,7)8;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);2-5H2,1H3,(H2,6,7,8);/q;;+1/p-1