[3-methyl-1-phenyl-5-(phenylcarbonyloxy)pyrazol-4-yl]-triphenyl-phosphanium

Systemtic Name: [3-methyl-1-phenyl-5-(phenylcarbonyloxy)pyrazol-4-yl]-triphenyl-phosphanium Openeye Name: (5-benzoyloxy-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium CAS Name: (5-benzoyloxy-3-methyl-1-phenyl-4-pyrazolyl)-triphenylphosphonium IUPAC Name: (5-benzoyloxy-3-methyl-1-phenylpyrazol-4-yl)-triphenylphosphanium Traditional Name: (5-benzoyloxy-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium Formula: C35H28N2O2P+ MolecularWeight: 539.582781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H28N2O2P/c1-27-33(34(37(36-27)29-19-9-3-10-20-29)39-35(38)28-17-7-2-8-18-28)40(30-21-11-4-12-22-30,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26H,1H3/q+1