2,4-bis(oxidanylidene)-5-tris(3-methylphenyl)phosphaniumyloxy-1H-pyrimidin-6-olate

Systemtic Name: 2,4-bis(oxidanylidene)-5-tris(3-methylphenyl)phosphaniumyloxy-1H-pyrimidin-6-olate Openeye Name: 2,4-dioxo-5-(tris-m-tolylphosphaniumyloxy)-1H-pyrimidin-6-olate CAS Name: 2,4-dioxo-5-tris(3-methylphenyl)phosphiniumyloxy-1H-pyrimidin-6-olate IUPAC Name: 2,4-dioxo-5-tris(3-methylphenyl)phosphaniumyloxy-1H-pyrimidin-6-olate Traditional Name: 2,4-diketo-5-(tris-m-tolylphosphiniumyloxy)-1H-pyrimidin-6-olate Formula: C25H23N2O4P MolecularWeight: 446.434881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[P+](C2=CC=CC(=C2)C)(C3=CC=CC(=C3)C)OC4=C(NC(=O)NC4=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[P+](C2=CC=CC(=C2)C)(C3=CC=CC(=C3)C)OC4=C(NC(=O)NC4=O)[O-]

InChI

InChI=1S/C25H23N2O4P/c1-16-7-4-10-19(13-16)32(20-11-5-8-17(2)14-20,21-12-6-9-18(3)15-21)31-22-23(28)26-25(30)27-24(22)29/h4-15H,1-3H3,(H2-,26,27,28,29,30)