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

Systemtic Name: (1-ethoxycarbonyl-4,4-dimethyl-5,5-diphenyl-pyrazol-3-yl)-triphenyl-phosphanium chloride Openeye Name: (1-ethoxycarbonyl-4,4-dimethyl-5,5-diphenyl-pyrazol-3-yl)-triphenyl-phosphonium chloride CAS Name: (1-ethoxycarbonyl-4,4-dimethyl-5,5-diphenyl-3-pyrazolyl)-triphenylphosphonium chloride IUPAC Name: (1-ethoxycarbonyl-4,4-dimethyl-5,5-diphenylpyrazol-3-yl)-triphenylphosphanium chloride Traditional Name: (1-carbethoxy-4,4-dimethyl-5,5-diphenyl-2-pyrazolin-3-yl)-triphenyl-phosphonium chloride Formula: C38H36ClN2O2P MolecularWeight: 619.131401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H36N2O2P.ClH/c1-4-42-36(41)40-38(30-20-10-5-11-21-30,31-22-12-6-13-23-31)37(2,3)35(39-40)43(32-24-14-7-15-25-32,33-26-16-8-17-27-33)34-28-18-9-19-29-34;/h5-29H,4H2,1-3H3;1H/q+1;/p-1