6-butan-2-yl-3-(2-methylpropyl)-1-oxidanyl-pyrazin-2-one; iron

Systemtic Name: 6-butan-2-yl-3-(2-methylpropyl)-1-oxidanyl-pyrazin-2-one; iron Openeye Name: 1-hydroxy-3-isobutyl-6-sec-butyl-pyrazin-2-one; iron CAS Name: 6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)-2-pyrazinone; iron IUPAC Name: 6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one; iron Traditional Name: 1-hydroxy-3-isobutyl-6-sec-butyl-pyrazin-2-one; iron Formula: C36H60FeN6O6 MolecularWeight: 728.7432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN=C(C(=O)N1O)CC(C)C.CCC(C)C1=CN=C(C(=O)N1O)CC(C)C.CCC(C)C1=CN=C(C(=O)N1O)CC(C)C.[Fe]

Isomeric SMILES

CCC(C)C1=CN=C(C(=O)N1O)CC(C)C.CCC(C)C1=CN=C(C(=O)N1O)CC(C)C.CCC(C)C1=CN=C(C(=O)N1O)CC(C)C.[Fe]

InChI

InChI=1S/3C12H20N2O2.Fe/c3*1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16;/h3*7-9,16H,5-6H2,1-4H3;