cyclopentane; [(E)-2-cyclopentylethenyl]-tris(dimethylamino)phosphanium; iron(2+); tetraphenylboranuide

Systemtic Name: cyclopentane; [(E)-2-cyclopentylethenyl]-tris(dimethylamino)phosphanium; iron(2+); tetraphenylboranuide Openeye Name: ferrous; cyclopentane; [(E)-2-cyclopentylvinyl]-tris(dimethylamino)phosphonium; tetraphenylboranuide CAS Name: cyclopentane; [(E)-2-cyclopentylethenyl]-tris(dimethylamino)phosphonium; iron(2+); tetraphenylboranuide IUPAC Name: cyclopentane; [(E)-2-cyclopentylethenyl]-tris(dimethylamino)phosphanium; iron(2+); tetraphenylboranuide Traditional Name: ferrous; cyclopentane; [(E)-2-cyclopentylvinyl]-tris(dimethylamino)phosphonium; tetraphenylboranuide Formula: C42H49BFeN3P+2 MolecularWeight: 693.488321

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)[P+](C=C[C]1[CH][CH][CH][CH]1)(N(C)C)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)[P+](/C=C/[C]1[CH][CH][CH][CH]1)(N(C)C)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C24H20B.C13H24N3P.C5H5.Fe/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-14(2)17(15(3)4,16(5)6)12-11-13-9-7-8-10-13;1-2-4-5-3-1;/h1-20H;7-12H,1-6H3;1-5H;/q-1;+1;;+2