sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(6-phenylhexyl)-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(6-phenylhexyl)-1H-pyrimidin-2-olate Openeye Name: sodium 5-ethyl-4,6-dioxo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate CAS Name: sodium 5-ethyl-4,6-dioxo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 5-ethyl-4,6-dioxo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate Traditional Name: sodium 5-ethyl-4,6-diketo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate Formula: C18H23N2NaO3 MolecularWeight: 338.37659

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=NC1=O)[O-])CCCCCCC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=NC1=O)[O-])CCCCCCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H24N2O3.Na/c1-2-18(15(21)19-17(23)20-16(18)22)13-9-4-3-6-10-14-11-7-5-8-12-14;/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H2,19,20,21,22,23);/q;+1/p-1