1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); chloride

Systemtic Name: 1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); chloride Openeye Name: ferric 1,3-bis(1,1-dimethylpentyl)cyclopentane chloride CAS Name: 1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); chloride IUPAC Name: 1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); chloride Traditional Name: ferric 1,3-bis(1,1-dimethylpentyl)cyclopentane chloride Formula: C38H66ClFe+2 MolecularWeight: 614.22864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)CCCC.CCCCC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)CCCC.[Cl-].[Fe+3]

Isomeric SMILES

CCCCC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)CCCC.CCCCC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)CCCC.[Cl-].[Fe+3]

InChI

InChI=1S/2C19H33.ClH.Fe/c2*1-7-9-13-18(3,4)16-11-12-17(15-16)19(5,6)14-10-8-2;;/h2*11-12,15H,7-10,13-14H2,1-6H3;1H;/q;;;+3/p-1