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

Systemtic Name: (E)-3-[2-(2-ethoxy-2-oxidanylidene-ethanoyl)pyrrol-1-yl]-4-oxidanylidene-1,4-di(propan-2-yloxy)-2-triphenylphosphaniumyl-but-1-en-1-olate Openeye Name: (E)-3-[2-(2-ethoxy-2-oxo-acetyl)pyrrol-1-yl]-1,4-diisopropoxy-4-oxo-2-triphenylphosphaniumyl-but-1-en-1-olate CAS Name: (E)-3-[2-(2-ethoxy-1,2-dioxoethyl)-1-pyrrolyl]-4-oxo-1,4-di(propan-2-yloxy)-2-triphenylphosphiniumyl-1-buten-1-olate IUPAC Name: (E)-3-[2-(2-ethoxy-2-oxoacetyl)pyrrol-1-yl]-4-oxo-1,4-di(propan-2-yloxy)-2-triphenylphosphaniumylbut-1-en-1-olate Traditional Name: (E)-3-(2-ethoxalylpyrrol-1-yl)-1,4-diisopropoxy-4-keto-2-triphenylphosphiniumyl-but-1-en-1-olate Formula: C36H38NO7P MolecularWeight: 627.663181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=CC=CN1C(C(=C([O-])OC(C)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C(=O)C1=CC=CN1C(/C(=C(/[O-])\OC(C)C)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)C

InChI

InChI=1S/C36H38NO7P/c1-6-42-35(40)32(38)30-23-16-24-37(30)31(34(39)43-25(2)3)33(36(41)44-26(4)5)45(27-17-10-7-11-18-27,28-19-12-8-13-20-28)29-21-14-9-15-22-29/h7-26,31H,6H2,1-5H3/b36-33+