cyclooctane; [5-(diphenylphosphanylmethyl)pyrazol-1-id-3-yl]methyl-diphenyl-phosphane; iridium; tetrafluoroborate

Systemtic Name: cyclooctane; [5-(diphenylphosphanylmethyl)pyrazol-1-id-3-yl]methyl-diphenyl-phosphane; iridium; tetrafluoroborate Openeye Name: cyclooctane; [5-(diphenylphosphanylmethyl)pyrazol-1-id-3-yl]methyl-diphenyl-phosphane; iridium; tetrafluoroborate CAS Name: cyclooctane; [5-(diphenylphosphinomethyl)-3-pyrazol-1-idyl]methyl-diphenylphosphine; iridium; tetrafluoroborate IUPAC Name: cyclooctane; [5-(diphenylphosphanylmethyl)pyrazol-1-id-3-yl]methyl-diphenylphosphane; iridium; tetrafluoroborate Traditional Name: cyclooctane; [5-(diphenylphosphinomethyl)pyrazol-1-id-3-yl]methyl-diphenyl-phosphine; iridium; tetrafluoroborate Formula: C45H49BF4Ir2N2P2-2 MolecularWeight: 1151.070095

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1C[CH][CH]CC[CH][CH]1.C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(CC2=CC(=N[N-]2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Ir].[Ir]

Isomeric SMILES

[B-](F)(F)(F)F.C1C[CH][CH]CC[CH][CH]1.C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(CC2=CC(=N[N-]2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Ir].[Ir]

InChI

InChI=1S/C29H25N2P2.2C8H12.BF4.2Ir/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)22-24-21-25(31-30-24)23-33(28-17-9-3-10-18-28)29-19-11-4-12-20-29;2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h1-21H,22-23H2;2*1-2,7-8H,3-6H2;;;/q-1;;;-1;;