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

Systemtic Name: cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazine-4-carboxylate; iron(2+) Openeye Name: diferrous; cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazine-4-carboxylate CAS Name: cyclopentane; 6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-4-pyridazinecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 6-cyclopentyl-5-(cyclopentylmethyl)-3-phenylpyridazine-4-carboxylate; iron(2+) Traditional Name: diferrous; cyclopentane; 6-cyclopentyl-5-(cyclopentylmethyl)-3-phenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C34H30Fe2N2O2+4 MolecularWeight: 610.3042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN=C1C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3)C[C]4[CH][CH][CH][CH]4.[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=C1C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3)C[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C24H20N2O2.2C5H5.2Fe/c1-2-28-24(27)21-20(16-17-10-6-7-11-17)22(18-14-8-9-15-18)25-26-23(21)19-12-4-3-5-13-19;2*1-2-4-5-3-1;;/h3-15H,2,16H2,1H3;2*1-5H;;/q;;;2*+2