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

Systemtic Name: cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-(diethylamino)phosphaniumyl]boron(1-); iron(2+) Openeye Name: diferrous; cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-(diethylamino)phosphaniumyl]boron(1-) CAS Name: [bis(1-cyclopenta-1,4-dienyl)-(diethylamino)phosphiniumyl]boron(1-); cyclopenta-1,3-diene; iron(2+) IUPAC Name: cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-(diethylamino)phosphaniumyl]boron(1-); iron(2+) Traditional Name: diferrous; cyclopenta-1,3-diene; [di(cyclopenta-1,4-dien-1-yl)-(diethylamino)phosphiniumyl]boron(1-) Formula: C24H28BFe2NP MolecularWeight: 483.960581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BNP.2C5H5.2Fe/c1-3-16(4-2)17(15,13-9-5-6-10-13)14-11-7-8-12-14;2*1-2-4-5-3-1;;/h5-12H,3-4H2,1-2H3;2*1-5H;;/q-2;2*-1;2*+2