sodium 4,6-bis(oxidanylidene)-5,5-bis(3-phenoxypropyl)-1H-pyrimidin-2-olate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5,5-bis(3-phenoxypropyl)-1H-pyrimidin-2-olate Openeye Name: sodium 4,6-dioxo-5,5-bis(3-phenoxypropyl)-1H-pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-5,5-bis(3-phenoxypropyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 4,6-dioxo-5,5-bis(3-phenoxypropyl)-1H-pyrimidin-2-olate Traditional Name: sodium 4,6-diketo-5,5-bis(3-phenoxypropyl)-1H-pyrimidin-2-olate Formula: C22H23N2NaO5 MolecularWeight: 418.41819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC2(C(=O)NC(=NC2=O)[O-])CCCOC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC2(C(=O)NC(=NC2=O)[O-])CCCOC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H24N2O5.Na/c25-19-22(20(26)24-21(27)23-19,13-7-15-28-17-9-3-1-4-10-17)14-8-16-29-18-11-5-2-6-12-18;/h1-6,9-12H,7-8,13-16H2,(H2,23,24,25,26,27);/q;+1/p-1