disodium 4-[6-[4-(2-oxidanidyl-2-oxidanylidene-ethoxy)-6-phenyl-pyrimidin-2-yl]naphthalen-2-yl]oxybutanoate

Systemtic Name: disodium 4-[6-[4-(2-oxidanidyl-2-oxidanylidene-ethoxy)-6-phenyl-pyrimidin-2-yl]naphthalen-2-yl]oxybutanoate Openeye Name: disodium 4-[[6-[4-(2-oxido-2-oxo-ethoxy)-6-phenyl-pyrimidin-2-yl]-2-naphthyl]oxy]butanoate CAS Name: disodium 4-[[6-[4-(2-oxido-2-oxoethoxy)-6-phenyl-2-pyrimidinyl]-2-naphthalenyl]oxy]butanoate IUPAC Name: disodium 4-[6-[4-(2-oxido-2-oxoethoxy)-6-phenylpyrimidin-2-yl]naphthalen-2-yl]oxybutanoate Traditional Name: disodium 4-[6-[4-(2-keto-2-oxido-ethoxy)-6-phenyl-pyrimidin-2-yl]-2-naphthoxy]butyrate Formula: C26H20N2Na2O6 MolecularWeight: 502.42634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCCCC(=O)[O-])OCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCCCC(=O)[O-])OCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H22N2O6.2Na/c29-24(30)7-4-12-33-21-11-10-18-13-20(9-8-19(18)14-21)26-27-22(17-5-2-1-3-6-17)15-23(28-26)34-16-25(31)32;;/h1-3,5-6,8-11,13-15H,4,7,12,16H2,(H,29,30)(H,31,32);;/q;2*+1/p-2