chloranyl-(1-methoxy-1-oxidanylidene-propan-2-yl)azaniumylidyne-molybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide

Systemtic Name: chloranyl-(1-methoxy-1-oxidanylidene-propan-2-yl)azaniumylidyne-molybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide Openeye Name: chloro-(2-methoxy-1-methyl-2-oxo-ethyl)nitrilio-molybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide CAS Name: chloro-(1-methoxy-1-oxopropan-2-yl)nitriliomolybdenum; 2-diphenylphosphinoethyl(diphenyl)phosphine; iodide IUPAC Name: chloro-(1-methoxy-1-oxopropan-2-yl)azaniumylidynemolybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide Traditional Name: chloro-(2-keto-2-methoxy-1-methyl-ethyl)nitrilio-molybdenum; 2-diphenylphosphinoethyl(diphenyl)phosphine; iodide Formula: C56H55ClIMoNO2P4 MolecularWeight: 1156.233914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)[N+]#[Mo]Cl.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC(C(=O)OC)[N+]#[Mo]Cl.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/2C26H24P2.C4H7NO2.ClH.HI.Mo/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3(5)4(6)7-2;;;/h2*1-20H,21-22H2;3H,1-2H3;2*1H;/q;;+1;;;+1/p-2