iron(2+); triphenylphosphane; dichloride

Systemtic Name: iron(2+); triphenylphosphane; dichloride Openeye Name: ferrous triphenylphosphane dichloride CAS Name: iron(2+); triphenylphosphine; dichloride IUPAC Name: iron(2+); triphenylphosphane; dichloride Traditional Name: ferrous triphenylphosphine dichloride Formula: C54H45Cl2FeP3 MolecularWeight: 913.607383

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

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

InChI

InChI=1S/3C18H15P.2ClH.Fe/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2