tert-butylcyclopentane; carbon monoxide; 4-carbonochloridoylthiobenzate; iron(2+)

Systemtic Name: tert-butylcyclopentane; carbon monoxide; 4-carbonochloridoylthiobenzate; iron(2+) Openeye Name: ferrous; tert-butylcyclopentane; carbon monoxide; 4-chlorocarbonylthiobenzate CAS Name: tert-butylcyclopentane; carbon monoxide; 4-carbonochloridoylthiobenzate; iron(2+) IUPAC Name: tert-butylcyclopentane; carbon monoxide; 4-carbonochloridoylthiobenzate; iron(2+) Traditional Name: ferrous; tert-butylcyclopentane; carbon monoxide; 4-chlorocarbonylthiobenzate Formula: C19H17ClFeO4S+ MolecularWeight: 432.69888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13.C8H5ClO2S.2CO.Fe/c1-9(2,3)8-6-4-5-7-8;9-7(10)5-1-3-6(4-2-5)8(11)12;2*1-2;/h4-7H,1-3H3;1-4H,(H,11,12);;;/q;;;;+2/p-1