cyclopentane; 4,6-di(cyclopentyl)-2-methyl-1,2,3-triazin-5-one; iron(2+)

Systemtic Name: cyclopentane; 4,6-di(cyclopentyl)-2-methyl-1,2,3-triazin-5-one; iron(2+) Openeye Name: diferrous; cyclopentane; 4,6-di(cyclopentyl)-2-methyl-triazin-5-one CAS Name: cyclopentane; 4,6-di(cyclopentyl)-2-methyl-5-triazinone; iron(2+) IUPAC Name: cyclopentane; 4,6-di(cyclopentyl)-2-methyltriazin-5-one; iron(2+) Traditional Name: diferrous; cyclopentane; 4,6-di(cyclopentyl)-2-methyl-triazin-5-one Formula: C24H21Fe2N3O+4 MolecularWeight: 479.13304

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(C(=O)C(=N1)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CN1N=C(C(=O)C(=N1)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C14H11N3O.2C5H5.2Fe/c1-17-15-12(10-6-2-3-7-10)14(18)13(16-17)11-8-4-5-9-11;2*1-2-4-5-3-1;;/h2-9H,1H3;2*1-5H;;/q;;;2*+2