cyclopentane; iron(2+); 6-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]benzo[d][1,3,2]benzodioxaphosphepine

Systemtic Name: cyclopentane; iron(2+); 6-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]benzo[d][1,3,2]benzodioxaphosphepine Openeye Name: ferrous; cyclopentane; 6-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]benzo[d][1,3,2]benzodioxaphosphepine CAS Name: cyclopentane; iron(2+); 6-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]benzo[d][1,3,2]benzodioxaphosphepin IUPAC Name: cyclopentane; iron(2+); 6-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]benzo[d][1,3,2]benzodioxaphosphepine Traditional Name: ferrous; cyclopentane; 6-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]benzo[d][1,3,2]benzodioxaphosphepin Formula: C29H20F3FeO2P+2 MolecularWeight: 544.281871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3OP(O2)[C]4[CH][CH][CH][C]4C5=CC=C(C=C5)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3OP(O2)[C]4[CH][CH][CH][C]4C5=CC=C(C=C5)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C24H15F3O2P.C5H5.Fe/c25-24(26,27)17-14-12-16(13-15-17)18-8-5-11-23(18)30-28-21-9-3-1-6-19(21)20-7-2-4-10-22(20)29-30;1-2-4-5-3-1;/h1-15H;1-5H;/q;;+2