carbon monoxide; 1,3-ditert-butylcyclopentane; rhodium; sulfanide; zirconium(2+)

Systemtic Name: carbon monoxide; 1,3-ditert-butylcyclopentane; rhodium; sulfanide; zirconium(2+) Openeye Name: carbon monoxide; 1,3-ditert-butylcyclopentane; rhodium; sulfanide; zirconium(2+) CAS Name: carbon monoxide; 1,3-ditert-butylcyclopentane; rhodium; sulfanide; zirconium(2+) IUPAC Name: carbon monoxide; 1,3-ditert-butylcyclopentane; rhodium; sulfanide; zirconium(2+) Traditional Name: carbon monoxide; 1,3-ditert-butylcyclopentane; rhodium; zirconium(2+); dibisulfide Formula: C30H44O4Rh2S2Zr MolecularWeight: 829.83296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)C.CC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[SH-].[SH-].[Zr+2].[Rh].[Rh]

Isomeric SMILES

CC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)C.CC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[SH-].[SH-].[Zr+2].[Rh].[Rh]

InChI

InChI=1S/2C13H21.4CO.2Rh.2H2S.Zr/c2*1-12(2,3)10-7-8-11(9-10)13(4,5)6;4*1-2;;;;;/h2*7-9H,1-6H3;;;;;;;2*1H2;/q;;;;;;;;;;+2/p-2