butyltin(3+); cyclopentane; cyclopentanecarbaldehyde; iron(2+)

Systemtic Name: butyltin(3+); cyclopentane; cyclopentanecarbaldehyde; iron(2+) Openeye Name: triferrous; butyltin(3+); cyclopentane; cyclopentanecarbaldehyde CAS Name: butyltin(3+); cyclopentane; cyclopentanecarboxaldehyde; iron(2+) IUPAC Name: butyltin(3+); cyclopentane; cyclopentanecarbaldehyde; iron(2+) Traditional Name: triferrous; butyltin(3+); cyclopentane; cyclopentanecarbaldehyde Formula: C37H36Fe3O3Sn+6 MolecularWeight: 814.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][C-][C]([CH]1)C=O.[CH]1[CH][C-][C]([CH]1)C=O.[CH]1[CH][C-][C]([CH]1)C=O.[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

CCCC[Sn+3].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][C-][C]([CH]1)C=O.[CH]1[CH][C-][C]([CH]1)C=O.[CH]1[CH][C-][C]([CH]1)C=O.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/3C6H4O.3C5H5.C4H9.3Fe.Sn/c3*7-5-6-3-1-2-4-6;3*1-2-4-5-3-1;1-3-4-2;;;;/h3*1-3,5H;3*1-5H;1,3-4H2,2H3;;;;/q3*-1;;;;;3*+2;+3