(E)-1,4-diethoxy-3-[2-(2-ethoxy-2-oxidanylidene-ethanoyl)pyrrol-1-yl]-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate

Systemtic Name: (E)-1,4-diethoxy-3-[2-(2-ethoxy-2-oxidanylidene-ethanoyl)pyrrol-1-yl]-4-oxidanylidene-2-triphenylphosphaniumyl-but-1-en-1-olate Openeye Name: (E)-1,4-diethoxy-3-[2-(2-ethoxy-2-oxo-acetyl)pyrrol-1-yl]-4-oxo-2-triphenylphosphaniumyl-but-1-en-1-olate CAS Name: (E)-1,4-diethoxy-3-[2-(2-ethoxy-1,2-dioxoethyl)-1-pyrrolyl]-4-oxo-2-triphenylphosphiniumyl-1-buten-1-olate IUPAC Name: (E)-1,4-diethoxy-3-[2-(2-ethoxy-2-oxoacetyl)pyrrol-1-yl]-4-oxo-2-triphenylphosphaniumylbut-1-en-1-olate Traditional Name: (E)-3-(2-ethoxalylpyrrol-1-yl)-1,4-diethoxy-4-keto-2-triphenylphosphiniumyl-but-1-en-1-olate Formula: C34H34NO7P MolecularWeight: 599.610021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C([O-])OCC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C=CC=C4C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(/C(=C(/[O-])\OCC)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C=CC=C4C(=O)C(=O)OCC

InChI

InChI=1S/C34H34NO7P/c1-4-40-32(37)29(35-24-16-23-28(35)30(36)33(38)41-5-2)31(34(39)42-6-3)43(25-17-10-7-11-18-25,26-19-12-8-13-20-26)27-21-14-9-15-22-27/h7-24,29H,4-6H2,1-3H3/b34-31+