tert-butylcyclopentane; carbon monoxide; cyclopentane; iron(2+); thioterephthalate

Systemtic Name: tert-butylcyclopentane; carbon monoxide; cyclopentane; iron(2+); thioterephthalate Openeye Name: diferrous; tert-butylcyclopentane; carbon monoxide; cyclopentane; thioterephthalate CAS Name: tert-butylcyclopentane; carbon monoxide; cyclopentane; iron(2+); thioterephthalate IUPAC Name: tert-butylcyclopentane; carbon monoxide; cyclopentane; iron(2+); thioterephthalate Traditional Name: diferrous; tert-butylcyclopentane; carbon monoxide; cyclopentane; thioterephthalate Formula: C26H22Fe2O6S2+2 MolecularWeight: 606.26928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1C(=O)[S-])C(=O)[S-].[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CC(C)(C)[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1C(=O)[S-])C(=O)[S-].[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C9H13.C8H6O2S2.C5H5.4CO.2Fe/c1-9(2,3)8-6-4-5-7-8;9-7(11)5-1-2-6(4-3-5)8(10)12;1-2-4-5-3-1;4*1-2;;/h4-7H,1-3H3;1-4H,(H,9,11)(H,10,12);1-5H;;;;;;/q;;;;;;;2*+2/p-2