(1-ethoxycarbonyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenyl-phosphanium chloride

Systemtic Name: (1-ethoxycarbonyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenyl-phosphanium chloride Openeye Name: (1-ethoxycarbonyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenyl-phosphonium chloride CAS Name: (1-ethoxycarbonyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphonium chloride IUPAC Name: (1-ethoxycarbonyl-5,5-diphenyl-4H-pyrazol-3-yl)-triphenylphosphanium chloride Traditional Name: (1-carbethoxy-5,5-diphenyl-2-pyrazolin-3-yl)-triphenyl-phosphonium chloride Formula: C36H32ClN2O2P MolecularWeight: 591.078241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

CCOC(=O)N1C(CC(=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C36H32N2O2P.ClH/c1-2-40-35(39)38-36(29-18-8-3-9-19-29,30-20-10-4-11-21-30)28-34(37-38)41(31-22-12-5-13-23-31,32-24-14-6-15-25-32)33-26-16-7-17-27-33;/h3-27H,2,28H2,1H3;1H/q+1;/p-1