cyclopentane; 1-[6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazin-4-yl]ethanone; iron(2+)

Systemtic Name: cyclopentane; 1-[6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazin-4-yl]ethanone; iron(2+) Openeye Name: diferrous; cyclopentane; 1-[6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazin-4-yl]ethanone CAS Name: cyclopentane; 1-[6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-4-pyridazinyl]ethanone; iron(2+) IUPAC Name: cyclopentane; 1-[6-cyclopentyl-5-(cyclopentylmethyl)-3-methylpyridazin-4-yl]ethanone; iron(2+) Traditional Name: diferrous; cyclopentane; 1-[6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazin-4-yl]ethanone Formula: C28H26Fe2N2O+4 MolecularWeight: 518.20884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C(=C1C(=O)C)C[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

CC1=NN=C(C(=C1C(=O)C)C[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/C18H16N2O.2C5H5.2Fe/c1-12-17(13(2)21)16(11-14-7-3-4-8-14)18(20-19-12)15-9-5-6-10-15;2*1-2-4-5-3-1;;/h3-10H,11H2,1-2H3;2*1-5H;;/q;;;2*+2