chloranyl-(2-methoxy-2-oxidanylidene-ethyl)azaniumylidyne-molybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide

Systemtic Name: chloranyl-(2-methoxy-2-oxidanylidene-ethyl)azaniumylidyne-molybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide Openeye Name: chloro-(2-methoxy-2-oxo-ethyl)nitrilio-molybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide CAS Name: chloro-(2-methoxy-2-oxoethyl)nitriliomolybdenum; 2-diphenylphosphinoethyl(diphenyl)phosphine; iodide IUPAC Name: chloro-(2-methoxy-2-oxoethyl)azaniumylidynemolybdenum; 2-diphenylphosphanylethyl(diphenyl)phosphane; iodide Traditional Name: chloro-(2-keto-2-methoxy-ethyl)nitrilio-molybdenum; 2-diphenylphosphinoethyl(diphenyl)phosphine; iodide Formula: C55H53ClIMoNO2P4 MolecularWeight: 1142.207334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[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

COC(=O)C[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.C3H5NO2.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;1-6-3(5)2-4;;;/h2*1-20H,21-22H2;2H2,1H3;2*1H;/q;;+1;;;+1/p-2