bromanyl-tris(chloranyl)iron; (5-ethoxy-5-oxidanylidene-pentyl)-triphenyl-phosphanium

Systemtic Name: bromanyl-tris(chloranyl)iron; (5-ethoxy-5-oxidanylidene-pentyl)-triphenyl-phosphanium Openeye Name: bromo(trichloro)iron; (5-ethoxy-5-oxo-pentyl)-triphenyl-phosphonium CAS Name: bromo(trichloro)iron; (5-ethoxy-5-oxopentyl)-triphenylphosphonium IUPAC Name: bromo(trichloro)iron; (5-ethoxy-5-oxopentyl)-triphenylphosphanium Traditional Name: bromo(trichloro)iron; (5-ethoxy-5-keto-pentyl)-triphenyl-phosphonium Formula: C25H28BrCl3FeO2P+ MolecularWeight: 633.570381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Fe](Cl)(Cl)Br

Isomeric SMILES

CCOC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Fe](Cl)(Cl)Br

InChI

InChI=1S/C25H28O2P.BrH.3ClH.Fe/c1-2-27-25(26)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;;;;;/h3-11,14-19H,2,12-13,20-21H2,1H3;4*1H;/q+1;;;;;+4/p-4