sodium; [(E)-but-2-enyl] ethanoate; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: sodium; [(E)-but-2-enyl] ethanoate; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium; [(E)-but-2-enyl] acetate; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium; acetic acid [(E)-but-2-enyl] ester; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate IUPAC Name: sodium; [(E)-but-2-enyl] acetate; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate Traditional Name: sodium; acetic acid [(E)-but-2-enyl] ester; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C17H27N2NaO5 MolecularWeight: 362.39645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.C6H10O2.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;1-3-4-5-8-6(2)7;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);3-4H,5H2,1-2H3;/q;;+1/p-1/b;4-3+;