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

Systemtic Name: 1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); nitrate Openeye Name: ferric 1,3-bis(1,1-dimethylpentyl)cyclopentane nitrate CAS Name: 1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); nitrate IUPAC Name: 1,3-bis(2-methylhexan-2-yl)cyclopentane; iron(3+); nitrate Traditional Name: ferric 1,3-bis(1,1-dimethylpentyl)cyclopentane nitrate Formula: C38H66FeNO3+2 MolecularWeight: 640.78054

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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.[N+](=O)([O-])[O-].[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.[N+](=O)([O-])[O-].[Fe+3]

InChI

InChI=1S/2C19H33.Fe.NO3/c2*1-7-9-13-18(3,4)16-11-12-17(15-16)19(5,6)14-10-8-2;;2-1(3)4/h2*11-12,15H,7-10,13-14H2,1-6H3;;/q;;+3;-1