ditert-butyl(cyclopentyl)phosphane; iron(2+); 1-[2,3,4,5-tetrakis[4-(trifluoromethyl)phenyl]cyclopentyl]-4-(trifluoromethyl)benzene

Systemtic Name: ditert-butyl(cyclopentyl)phosphane; iron(2+); 1-[2,3,4,5-tetrakis[4-(trifluoromethyl)phenyl]cyclopentyl]-4-(trifluoromethyl)benzene Openeye Name: ferrous; ditert-butyl(cyclopentyl)phosphane; 1-[2,3,4,5-tetrakis[4-(trifluoromethyl)phenyl]cyclopentyl]-4-(trifluoromethyl)benzene CAS Name: ditert-butyl(cyclopentyl)phosphine; iron(2+); 1-[2,3,4,5-tetrakis[4-(trifluoromethyl)phenyl]cyclopentyl]-4-(trifluoromethyl)benzene IUPAC Name: ditert-butyl(cyclopentyl)phosphane; iron(2+); 1-[2,3,4,5-tetrakis[4-(trifluoromethyl)phenyl]cyclopentyl]-4-(trifluoromethyl)benzene Traditional Name: ferrous; ditert-butyl(cyclopentyl)phosphine; 1-[2,3,4,5-tetrakis[4-(trifluoromethyl)phenyl]cyclopentyl]-4-(trifluoromethyl)benzene Formula: C53H42F15FeP+2 MolecularWeight: 1050.695389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.C1=CC(=CC=C1[C]2[C]([C]([C]([C]2C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F)C6=CC=C(C=C6)C(F)(F)F)C(F)(F)F.[Fe+2]

Isomeric SMILES

CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.C1=CC(=CC=C1[C]2[C]([C]([C]([C]2C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F)C6=CC=C(C=C6)C(F)(F)F)C(F)(F)F.[Fe+2]

InChI

InChI=1S/C40H20F15.C13H22P.Fe/c41-36(42,43)26-11-1-21(2-12-26)31-32(22-3-13-27(14-4-22)37(44,45)46)34(24-7-17-29(18-8-24)39(50,51)52)35(25-9-19-30(20-10-25)40(53,54)55)33(31)23-5-15-28(16-6-23)38(47,48)49;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h1-20H;7-10H,1-6H3;/q;;+2