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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphanium tetrafluoroborate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium tetrafluoroborate CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-triphenylphosphonium tetrafluoroborate IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-triphenylphosphanium tetrafluoroborate Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-triphenyl-phosphonium tetrafluoroborate Formula: C28H23BClF4N2P MolecularWeight: 540.726994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN2P.BF4/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;/q+1;-1