cyclooctane; iridium; tris(diphenylphosphanylmethyl)-phenyl-boranuide

Systemtic Name: cyclooctane; iridium; tris(diphenylphosphanylmethyl)-phenyl-boranuide Openeye Name: cyclooctane; iridium; tris(diphenylphosphanylmethyl)-phenyl-boranuide CAS Name: cyclooctane; iridium; tris(diphenylphosphinomethyl)-phenylboranuide IUPAC Name: cyclooctane; iridium; tris(diphenylphosphanylmethyl)-phenylboranuide Traditional Name: cyclooctane; iridium; tris(diphenylphosphinomethyl)-phenyl-boranuide Formula: C53H54BIrP3- MolecularWeight: 986.945143

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)(CP(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1CC[CH][CH][CH]CC1.[Ir]

Isomeric SMILES

[B-](CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)(CP(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.C1CC[CH][CH][CH]CC1.[Ir]

InChI

InChI=1S/C45H41BP3.C8H13.Ir/c1-8-22-39(23-9-1)46(36-47(40-24-10-2-11-25-40)41-26-12-3-13-27-41,37-48(42-28-14-4-15-29-42)43-30-16-5-17-31-43)38-49(44-32-18-6-19-33-44)45-34-20-7-21-35-45;1-2-4-6-8-7-5-3-1;/h1-35H,36-38H2;1-3H,4-8H2;/q-1;;