5-(1-ethoxy-1-oxidanylidene-3-triphenylphosphaniumyl-propan-2-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 5-(1-ethoxy-1-oxidanylidene-3-triphenylphosphaniumyl-propan-2-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 5-[2-ethoxy-2-oxo-1-(triphenylphosphaniumylmethyl)ethyl]-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate CAS Name: 5-(1-ethoxy-1-oxo-3-triphenylphosphiniumylpropan-2-yl)-1,3-dimethyl-2,6-dioxo-4-pyrimidinolate IUPAC Name: 5-(1-ethoxy-1-oxo-3-triphenylphosphaniumylpropan-2-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate Traditional Name: 5-[2-ethoxy-2-keto-1-(triphenylphosphiniumylmethyl)ethyl]-2,6-diketo-1,3-dimethyl-pyrimidin-4-olate Formula: C29H29N2O5P MolecularWeight: 516.524721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N(C(=O)N(C4=O)C)C)[O-]

Isomeric SMILES

CCOC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N(C(=O)N(C4=O)C)C)[O-]

InChI

InChI=1S/C29H29N2O5P/c1-4-36-28(34)24(25-26(32)30(2)29(35)31(3)27(25)33)20-37(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,4,20H2,1-3H3