iron(2+); 4-phenylbut-1-en-3-ynylbenzene; tris(2-dimethylphosphaniumylethyl)phosphanium

Systemtic Name: iron(2+); 4-phenylbut-1-en-3-ynylbenzene; tris(2-dimethylphosphaniumylethyl)phosphanium Openeye Name: ferrous; 4-phenylbut-1-en-3-ynylbenzene; tris(2-dimethylphosphaniumylethyl)phosphonium CAS Name: iron(2+); 4-phenylbut-1-en-3-ynylbenzene; tris(2-dimethylphosphiniumylethyl)phosphonium IUPAC Name: iron(2+); 4-phenylbut-1-en-3-ynylbenzene; tris(2-dimethylphosphaniumylethyl)phosphanium Traditional Name: ferrous; 4-phenylbut-1-en-3-ynylbenzene; tris(2-dimethylphosphiniumylethyl)phosphonium Formula: C28H45FeP4+5 MolecularWeight: 561.396944

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Descriptors Computed from Structure

Canonical SMILES:

C[PH+](C)CC[PH+](CC[PH+](C)C)CC[PH+](C)C.C1=CC=C(C=C1)C=[C-]C#CC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

C[PH+](C)CC[PH+](CC[PH+](C)C)CC[PH+](C)C.C1=CC=C(C=C1)C=[C-]C#CC2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/C16H11.C12H30P4.Fe/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;/h1-6,9-13H;7-12H2,1-6H3;/q-1;;+2/p+4