gallium; bis(chloranyl)gallanide; carbon monoxide; cyclopentane; ethanenitrile; iron; 2-pyridin-2-ylpyridine

Systemtic Name: gallium; bis(chloranyl)gallanide; carbon monoxide; cyclopentane; ethanenitrile; iron; 2-pyridin-2-ylpyridine Openeye Name: gallium; acetonitrile; carbon monoxide; cyclopentane; dichlorogallanide; iron; 2-(2-pyridyl)pyridine CAS Name: gallium; acetonitrile; carbon monoxide; cyclopentane; dichlorogallanide; iron; 2-(2-pyridinyl)pyridine IUPAC Name: gallium; acetonitrile; carbon monoxide; cyclopentane; dichlorogallanide; iron; 2-pyridin-2-ylpyridine Traditional Name: gallium; acetonitrile; carbon monoxide; cyclopentane; dichlorogallanide; iron; 2-(2-pyridyl)pyridine Formula: C40H31Cl2Fe4Ga2N3O8-2 MolecularWeight: 1115.42144

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]1[CH][CH][CH][CH]1.[CH-]1[CH][CH][CH][CH]1.[CH-]1[CH][CH][CH][CH]1.[CH-]1[CH][CH][CH][CH]1.C1=CC=NC(=C1)C2=CC=CC=N2.Cl[Ga-]Cl.[Fe].[Fe].[Fe].[Fe].[Ga+3]

Isomeric SMILES

CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]1[CH][CH][CH][CH]1.[CH-]1[CH][CH][CH][CH]1.[CH-]1[CH][CH][CH][CH]1.[CH-]1[CH][CH][CH][CH]1.C1=CC=NC(=C1)C2=CC=CC=N2.Cl[Ga-]Cl.[Fe].[Fe].[Fe].[Fe].[Ga+3]

InChI

InChI=1S/C10H8N2.4C5H5.C2H3N.8CO.2ClH.4Fe.2Ga/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-5-3-1;1-2-3;8*1-2;;;;;;;;/h1-8H;4*1-5H;1H3;;;;;;;;;2*1H;;;;;;/q;4*-1;;;;;;;;;;;;;;;;+1;+3/p-2