cyclopentyl(diphenyl)phosphane; gold(1+); iron(2+); triphenylphosphane; perchlorate

Systemtic Name: cyclopentyl(diphenyl)phosphane; gold(1+); iron(2+); triphenylphosphane; perchlorate Openeye Name: ferrous; cyclopentyl(diphenyl)phosphane; gold(1+); triphenylphosphane; perchlorate CAS Name: cyclopentyl(diphenyl)phosphine; gold(1+); iron(2+); triphenylphosphine; perchlorate IUPAC Name: cyclopentyl(diphenyl)phosphane; gold(1+); iron(2+); triphenylphosphane; perchlorate Traditional Name: ferrous; cyclopentyl(diphenyl)phosphine; gold(1+); triphenylphosphine; perchlorate Formula: C52H43AuClFeO4P3+2 MolecularWeight: 1113.081253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[O-]Cl(=O)(=O)=O.[Fe+2].[Au+]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[O-]Cl(=O)(=O)=O.[Fe+2].[Au+]

InChI

InChI=1S/C18H15P.2C17H14P.Au.ClHO4.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;2-1(3,4)5;/h1-15H;2*1-14H;;(H,2,3,4,5);/q;;;+1;;+2/p-1