cyclopentane; ditert-butyl(cyclopentyl)phosphane; iron(2+); methylbenzene; methyl 3-methoxy-3-oxidanyl-propanoate; palladium

Systemtic Name: cyclopentane; ditert-butyl(cyclopentyl)phosphane; iron(2+); methylbenzene; methyl 3-methoxy-3-oxidanyl-propanoate; palladium Openeye Name: ferrous; cyclopentane; ditert-butyl(cyclopentyl)phosphane; methylbenzene; methyl 3-hydroxy-3-methoxy-propanoate; palladium CAS Name: cyclopentane; ditert-butyl(cyclopentyl)phosphine; 3-hydroxy-3-methoxypropanoic acid methyl ester; iron(2+); methylbenzene; palladium IUPAC Name: cyclopentane; ditert-butyl(cyclopentyl)phosphane; iron(2+); methylbenzene; methyl 3-hydroxy-3-methoxypropanoate; palladium Traditional Name: ferrous; cyclopentane; ditert-butyl(cyclopentyl)phosphine; 3-hydroxy-3-methoxy-propionic acid methyl ester; methylbenzene; palladium Formula: C30H44FeO4PPd+ MolecularWeight: 661.906721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[C-]1.CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.COC(CC(=O)OC)O.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Pd]

Isomeric SMILES

CC1=CC=CC=[C-]1.CC(C)(C)P([C]1[CH][CH][CH][CH]1)C(C)(C)C.COC(CC(=O)OC)O.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Pd]

InChI

InChI=1S/C13H22P.C7H7.C5H10O4.C5H5.Fe.Pd/c1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;1-7-5-3-2-4-6-7;1-8-4(6)3-5(7)9-2;1-2-4-5-3-1;;/h7-10H,1-6H3;2-5H,1H3;4,6H,3H2,1-2H3;1-5H;;/q;-1;;;+2;