2,5-bis[cyclopentyl(phenyl)methyl]-1-methyl-pyrrole; cyclopentane; iron(2+)

Systemtic Name: 2,5-bis[cyclopentyl(phenyl)methyl]-1-methyl-pyrrole; cyclopentane; iron(2+) Openeye Name: diferrous; 2,5-bis[cyclopentyl(phenyl)methyl]-1-methyl-pyrrole; cyclopentane CAS Name: 2,5-bis[cyclopentyl(phenyl)methyl]-1-methylpyrrole; cyclopentane; iron(2+) IUPAC Name: 2,5-bis[cyclopentyl(phenyl)methyl]-1-methylpyrrole; cyclopentane; iron(2+) Traditional Name: diferrous; 2,5-bis[cyclopentyl(phenyl)methyl]-1-methyl-pyrrole; cyclopentane Formula: C39H35Fe2N+4 MolecularWeight: 629.3919

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3)C(C4=CC=CC=C4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CN1C(=CC=C1C(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3)C(C4=CC=CC=C4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C29H25N.2C5H5.2Fe/c1-30-26(28(24-16-8-9-17-24)22-12-4-2-5-13-22)20-21-27(30)29(25-18-10-11-19-25)23-14-6-3-7-15-23;2*1-2-4-5-3-1;;/h2-21,28-29H,1H3;2*1-5H;;/q;;;2*+2