cyclopentane; (4S)-4-cyclopentyl-2-phenyl-4,5-dihydro-1,3-oxazole; ethanoic acid; iron(2+); palladium

Systemtic Name: cyclopentane; (4S)-4-cyclopentyl-2-phenyl-4,5-dihydro-1,3-oxazole; ethanoic acid; iron(2+); palladium Openeye Name: diferrous; acetic acid; cyclopentane; (4S)-4-cyclopentyl-2-phenyl-4,5-dihydrooxazole; palladium CAS Name: acetic acid; cyclopentane; (4S)-4-cyclopentyl-2-phenyl-4,5-dihydrooxazole; iron(2+); palladium IUPAC Name: acetic acid; cyclopentane; (4S)-4-cyclopentyl-2-phenyl-4,5-dihydro-1,3-oxazole; iron(2+); palladium Traditional Name: diferrous; acetic acid; cyclopentane; (4S)-4-cyclopentyl-2-phenyl-2-oxazoline; palladium Formula: C46H48Fe2N2O10Pd3+2 MolecularWeight: 1219.83072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1C(N=C(O1)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1C(N=C(O1)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][C-][CH]1.[CH]1[CH][CH][C-][CH]1.[Fe+2].[Fe+2].[Pd].[Pd].[Pd]

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1[C@@H](N=C(O1)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1[C@@H](N=C(O1)C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][C-][CH]1.[CH]1[CH][CH][C-][CH]1.[Fe+2].[Fe+2].[Pd].[Pd].[Pd]

InChI

InChI=1S/2C14H12NO.2C5H4.4C2H4O2.2Fe.3Pd/c2*1-2-8-12(9-3-1)14-15-13(10-16-14)11-6-4-5-7-11;2*1-2-4-5-3-1;4*1-2(3)4;;;;;/h2*1-9,13H,10H2;2*1-4H;4*1H3,(H,3,4);;;;;/q;;2*-1;;;;;2*+2;;;/t2*13-;;;;;;;;;;;/m11.........../s1