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

Systemtic Name: [3-methyl-1-phenyl-5-(phenylcarbonyloxy)pyrazol-4-yl]-triphenyl-phosphanium perchlorate Openeye Name: (5-benzoyloxy-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium perchlorate CAS Name: (5-benzoyloxy-3-methyl-1-phenyl-4-pyrazolyl)-triphenylphosphonium perchlorate IUPAC Name: (5-benzoyloxy-3-methyl-1-phenylpyrazol-4-yl)-triphenylphosphanium perchlorate Traditional Name: (5-benzoyloxy-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium perchlorate Formula: C35H28ClN2O6P MolecularWeight: 639.033381

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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.[O-]Cl(=O)(=O)=O

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.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H28N2O2P.ClHO4/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;2-1(3,4)5/h2-26H,1H3;(H,2,3,4,5)/q+1;/p-1