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

Systemtic Name: sodium; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate; titanium; tetrahydrate Openeye Name: sodium; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; titanium; tetrahydrate CAS Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; titanium; tetrahydrate IUPAC Name: sodium; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; titanium; tetrahydrate Traditional Name: sodium; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate; titanium; tetrahydrate Formula: C11H25N2NaO7Ti MolecularWeight: 368.18217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.Na.4H2O.Ti/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;;;;;;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);;4*1H2;/q;+1;;;;;/p-1