cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-methyl-phosphaniumyl]boron(1-); iron(2+)

Systemtic Name: cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-methyl-phosphaniumyl]boron(1-); iron(2+) Openeye Name: diferrous; cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-methyl-phosphaniumyl]boron(1-) CAS Name: [bis(1-cyclopenta-1,4-dienyl)-methylphosphiniumyl]boron(1-); cyclopenta-1,3-diene; iron(2+) IUPAC Name: cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-methylphosphaniumyl]boron(1-); iron(2+) Traditional Name: diferrous; cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-methyl-phosphiniumyl]boron(1-) Formula: C21H21BFe2P MolecularWeight: 426.866201

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Descriptors Computed from Structure

Canonical SMILES:

[B-][P+](C)(C1=C[CH-]C=C1)C2=C[CH-]C=C2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].[Fe+2]

Isomeric SMILES

[B-][P+](C)(C1=C[CH-]C=C1)C2=C[CH-]C=C2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].[Fe+2]

InChI

InChI=1S/C11H11BP.2C5H5.2Fe/c1-13(12,10-6-2-3-7-10)11-8-4-5-9-11;2*1-2-4-5-3-1;;/h2-9H,1H3;2*1-5H;;/q-2;2*-1;2*+2