cyclopentylmethyl(triphenyl)phosphanium; iron(2+); diiodide

Systemtic Name: cyclopentylmethyl(triphenyl)phosphanium; iron(2+); diiodide Openeye Name: ferrous cyclopentylmethyl(triphenyl)phosphonium diiodide CAS Name: cyclopentylmethyl(triphenyl)phosphonium; iron(2+); diiodide IUPAC Name: cyclopentylmethyl(triphenyl)phosphanium; iron(2+); diiodide Traditional Name: ferrous cyclopentylmethyl(triphenyl)phosphonium diiodide Formula: C48H42FeI2P2+2 MolecularWeight: 990.448542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C[C]2[CH][CH][CH][CH]2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C[C]2[CH][CH][CH][CH]2)(C3=CC=CC=C3)C4=CC=CC=C4.[Fe+2].[I-].[I-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C[C]2[CH][CH][CH][CH]2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C[C]2[CH][CH][CH][CH]2)(C3=CC=CC=C3)C4=CC=CC=C4.[Fe+2].[I-].[I-]

InChI

InChI=1S/2C24H21P.Fe.2HI/c2*1-4-14-22(15-5-1)25(20-21-12-10-11-13-21,23-16-6-2-7-17-23)24-18-8-3-9-19-24;;;/h2*1-19H,20H2;;2*1H/q2*+1;+2;;/p-2