cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazine-4-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazine-4-carboxylate; iron(2+) Openeye Name: diferrous; cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazine-4-carboxylate CAS Name: cyclopentane; 6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-4-pyridazinecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-methylpyridazine-4-carboxylate; iron(2+) Traditional Name: diferrous; cyclopentane; 6-cyclopentyl-5-(cyclopentylmethyl)-3-methyl-pyridazine-4-carboxylic acid ethyl ester Formula: C29H28Fe2N2O2+4 MolecularWeight: 548.23482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1C)[C]2[CH][CH][CH][CH]2)C[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

CCOC(=O)C1=C(C(=NN=C1C)[C]2[CH][CH][CH][CH]2)C[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/C19H18N2O2.2C5H5.2Fe/c1-3-23-19(22)17-13(2)20-21-18(15-10-6-7-11-15)16(17)12-14-8-4-5-9-14;2*1-2-4-5-3-1;;/h4-11H,3,12H2,1-2H3;2*1-5H;;/q;;;2*+2