2-diphenylphosphaniumylethyl(diphenyl)phosphanium; molybdenum; oxoazanide; hydrate

Systemtic Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphanium; molybdenum; oxoazanide; hydrate Openeye Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphonium; molybdenum; nitroxyl anion; hydrate CAS Name: 2-diphenylphosphiniumylethyl(diphenyl)phosphonium; molybdenum; nitroxyl anion; hydrate IUPAC Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphanium; molybdenum; nitroxyl anion; hydrate Traditional Name: 2-diphenylphosphiniumylethyl(diphenyl)phosphonium; molybdenum; nitroxyl anion; hydrate Formula: C52H54MoNO2P4+3 MolecularWeight: 944.825704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[N-]=O.O.[Mo]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[N-]=O.O.[Mo]

InChI

InChI=1S/2C26H24P2.Mo.NO.H2O/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;;1-2;/h2*1-20H,21-22H2;;;1H2/q;;;-1;/p+4