sodium; 2,4-dipentyl-1,3-dioxane; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: sodium; 2,4-dipentyl-1,3-dioxane; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium; 2,4-dipentyl-1,3-dioxane; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium; 2,4-dipentyl-1,3-dioxane; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate IUPAC Name: sodium; 2,4-dipentyl-1,3-dioxane; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate Traditional Name: sodium; 2,4-diamyl-1,3-dioxane; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C25H45N2NaO5 MolecularWeight: 476.62497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCOC(O1)CCCCC.CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

Isomeric SMILES

CCCCCC1CCOC(O1)CCCCC.CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

InChI

InChI=1S/C14H28O2.C11H18N2O3.Na/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2;1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h13-14H,3-12H2,1-2H3;7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;;+1/p-1