chloromethylbenzene; iridium; methanone; triphenylphosphanium

Systemtic Name: chloromethylbenzene; iridium; methanone; triphenylphosphanium Openeye Name: chloromethylbenzene; iridium; methanone; triphenylphosphonium CAS Name: chloromethylbenzene; iridium; methanone; triphenylphosphonium IUPAC Name: chloromethylbenzene; iridium; methanone; triphenylphosphanium Traditional Name: chloromethylbenzene; iridium; methanone; triphenylphosphonium Formula: C44H39ClIrOP2 MolecularWeight: 873.397382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]=O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C([C-]=C1)CCl.[Ir]

Isomeric SMILES

[CH-]=O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C([C-]=C1)CCl.[Ir]

InChI

InChI=1S/2C18H15P.C7H6Cl.CHO.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7;1-2;/h2*1-15H;1-4H,6H2;1H;/q;;2*-1;/p+2