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: C46H68Fe2N2O10Pd3+2 MolecularWeight: 1239.98952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1CC[CH-]C1.C1CC[CH-]C1.C1CCC(C1)C2COC(=N2)C3=CC=CC=C3.C1CCC(C1)C2COC(=N2)C3=CC=CC=C3.[Fe+2].[Fe+2].[Pd].[Pd].[Pd]

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1CC[CH-]C1.C1CC[CH-]C1.C1CCC(C1)[C@H]2COC(=N2)C3=CC=CC=C3.C1CCC(C1)[C@H]2COC(=N2)C3=CC=CC=C3.[Fe+2].[Fe+2].[Pd].[Pd].[Pd]

InChI

InChI=1S/2C14H17NO.2C5H9.4C2H4O2.2Fe.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*1-3,8-9,11,13H,4-7,10H2;2*1H,2-5H2;4*1H3,(H,3,4);;;;;/q;;2*-1;;;;;2*+2;;;/t2*13-;;;;;;;;;;;/m11.........../s1