tert-butylbenzene; cyclopentyl(diphenyl)phosphane; iron(2+); 2-methylpropan-2-ol; palladium

Systemtic Name: tert-butylbenzene; cyclopentyl(diphenyl)phosphane; iron(2+); 2-methylpropan-2-ol; palladium Openeye Name: ferrous; tert-butylbenzene; cyclopentyl(diphenyl)phosphane; 2-methylpropan-2-ol; palladium CAS Name: tert-butylbenzene; cyclopentyl(diphenyl)phosphine; iron(2+); 2-methyl-2-propanol; palladium IUPAC Name: tert-butylbenzene; cyclopentyl(diphenyl)phosphane; iron(2+); 2-methylpropan-2-ol; palladium Traditional Name: ferrous; tert-butylbenzene; cyclopentyl(diphenyl)phosphine; 2-methylpropan-2-ol; palladium Formula: C48H51FeOP2Pd+ MolecularWeight: 868.130462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[C-]C=C1.CC(C)(C)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Pd]

Isomeric SMILES

CC(C)(C)C1=CC=[C-]C=C1.CC(C)(C)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Pd]

InChI

InChI=1S/2C17H14P.C10H13.C4H10O.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-10(2,3)9-7-5-4-6-8-9;1-4(2,3)5;;/h2*1-14H;5-8H,1-3H3;5H,1-3H3;;/q;;-1;;+2;