carbon monoxide; iron; 1,2,4-tritert-butylcyclopentane

Systemtic Name: carbon monoxide; iron; 1,2,4-tritert-butylcyclopentane Openeye Name: carbon monoxide; iron; 1,2,4-tritert-butylcyclopentane CAS Name: carbon monoxide; iron; 1,2,4-tritert-butylcyclopentane IUPAC Name: carbon monoxide; iron; 1,2,4-tritert-butylcyclopentane Traditional Name: carbon monoxide; iron; 1,2,4-tritert-butylcyclopentane Formula: C38H58Fe2O4 MolecularWeight: 690.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C]1[CH][C]([C]([CH]1)C(C)(C)C)C(C)(C)C.CC(C)(C)[C]1[CH][C]([C]([CH]1)C(C)(C)C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CC(C)(C)[C]1[CH][C]([C]([CH]1)C(C)(C)C)C(C)(C)C.CC(C)(C)[C]1[CH][C]([C]([CH]1)C(C)(C)C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/2C17H29.4CO.2Fe/c2*1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9;4*1-2;;/h2*10-11H,1-9H3;;;;;;