iridium; 1-phenylethanone; propan-2-one; triphenylphosphane; tetrafluoroborate

Systemtic Name: iridium; 1-phenylethanone; propan-2-one; triphenylphosphane; tetrafluoroborate Openeye Name: acetone; iridium; 1-phenylethanone; triphenylphosphane; tetrafluoroborate CAS Name: iridium; 1-phenylethanone; 2-propanone; triphenylphosphine; tetrafluoroborate IUPAC Name: iridium; 1-phenylethanone; propan-2-one; triphenylphosphane; tetrafluoroborate Traditional Name: acetone; iridium; 1-phenylethanone; triphenylphosphine; tetrafluoroborate Formula: C47H43BF4IrO2P2-2 MolecularWeight: 980.812255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)C.CC(=O)C1=CC=CC=[C-]1.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)C1=CC=CC=[C-]1.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.C8H7O.C3H6O.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;1-7(9)8-5-3-2-4-6-8;1-3(2)4;2-1(3,4)5;/h2*1-15H;2-5H,1H3;1-2H3;;/q;;-1;;-1;