(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphanium perchlorate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphanium perchlorate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium perchlorate CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-triphenylphosphonium perchlorate IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-triphenylphosphanium perchlorate Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium perchlorate Formula: C28H23Cl2N2O4P MolecularWeight: 553.372981

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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)Cl)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NN(C(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H23ClN2P.ClHO4/c1-22-27(28(29)31(30-22)23-14-6-2-7-15-23)32(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;2-1(3,4)5/h2-21H,1H3;(H,2,3,4,5)/q+1;/p-1