(Z)-4-cyano-5-oxidanylidene-4-phenyl-1-propan-2-yloxy-3-propan-2-yloxycarbonyl-2-triphenylphosphaniumyl-hept-1-en-1-olate

Systemtic Name: (Z)-4-cyano-5-oxidanylidene-4-phenyl-1-propan-2-yloxy-3-propan-2-yloxycarbonyl-2-triphenylphosphaniumyl-hept-1-en-1-olate Openeye Name: (Z)-4-cyano-1-isopropoxy-3-isopropoxycarbonyl-5-oxo-4-phenyl-2-triphenylphosphaniumyl-hept-1-en-1-olate CAS Name: (Z)-4-cyano-5-oxo-3-[oxo(propan-2-yloxy)methyl]-4-phenyl-1-propan-2-yloxy-2-triphenylphosphiniumyl-1-hepten-1-olate IUPAC Name: (Z)-4-cyano-5-oxo-4-phenyl-1-propan-2-yloxy-3-propan-2-yloxycarbonyl-2-triphenylphosphaniumylhept-1-en-1-olate Traditional Name: (Z)-4-cyano-1-isopropoxy-3-isopropoxycarbonyl-5-keto-4-phenyl-2-triphenylphosphiniumyl-hept-1-en-1-olate Formula: C39H40NO5P MolecularWeight: 633.712361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)(C1=CC=CC=C1)C(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

CCC(=O)C(C#N)(C1=CC=CC=C1)C(/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/C39H40NO5P/c1-6-34(41)39(27-40,30-19-11-7-12-20-30)35(37(42)44-28(2)3)36(38(43)45-29(4)5)46(31-21-13-8-14-22-31,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,28-29,35H,6H2,1-5H3/b38-36-