cyclooctane; diphenyl(2-pyrazol-1-ylethyl)phosphane; iridium; tetraphenylboranuide

Systemtic Name: cyclooctane; diphenyl(2-pyrazol-1-ylethyl)phosphane; iridium; tetraphenylboranuide Openeye Name: cyclooctane; diphenyl(2-pyrazol-1-ylethyl)phosphane; iridium; tetraphenylboranuide CAS Name: cyclooctane; diphenyl-[2-(1-pyrazolyl)ethyl]phosphine; iridium; tetraphenylboranuide IUPAC Name: cyclooctane; diphenyl(2-pyrazol-1-ylethyl)phosphane; iridium; tetraphenylboranuide Traditional Name: cyclooctane; diphenyl(2-pyrazol-1-ylethyl)phosphine; iridium; tetraphenylboranuide Formula: C49H49BIrN2P- MolecularWeight: 899.928521

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(CCN2C=CC=N2)C3=CC=CC=C3.[Ir]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(CCN2C=CC=N2)C3=CC=CC=C3.[Ir]

InChI

InChI=1S/C24H20B.C17H17N2P.C8H12.Ir/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-8-16(9-4-1)20(17-10-5-2-6-11-17)15-14-19-13-7-12-18-19;1-2-4-6-8-7-5-3-1;/h1-20H;1-13H,14-15H2;1-2,7-8H,3-6H2;/q-1;;;