iridium; propan-2-one; triphenylphosphane; tetrafluoroborate

Systemtic Name: iridium; propan-2-one; triphenylphosphane; tetrafluoroborate Openeye Name: acetone; iridium; triphenylphosphane; tetrafluoroborate CAS Name: iridium; 2-propanone; triphenylphosphine; tetrafluoroborate IUPAC Name: iridium; propan-2-one; triphenylphosphane; tetrafluoroborate Traditional Name: acetone; iridium; triphenylphosphine; tetrafluoroborate Formula: C42H42BF4IrO2P2- MolecularWeight: 919.750815

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)C.CC(=O)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)C.CC(=O)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

InChI

InChI=1S/2C18H15P.2C3H6O.BF4.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3(2)4;2-1(3,4)5;/h2*1-15H;2*1-2H3;;/q;;;;-1;