cyclopentane; 1-cyclopentyl-N,N-dimethyl-methanamine; iron(2+); titanium(4+)

Systemtic Name: cyclopentane; 1-cyclopentyl-N,N-dimethyl-methanamine; iron(2+); titanium(4+) Openeye Name: triferrous; cyclopentane; 1-cyclopentyl-N,N-dimethyl-methanamine; titanium(4+) CAS Name: cyclopentane; 1-cyclopentyl-N,N-dimethylmethanamine; iron(2+); titanium(4+) IUPAC Name: cyclopentane; 1-cyclopentyl-N,N-dimethylmethanamine; iron(2+); titanium(4+) Traditional Name: triferrous; cyclopentane; cyclopentylmethyl(dimethyl)amine; titanium(4+) Formula: C44H53Fe3N3Ti+7 MolecularWeight: 839.31372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C[C]1[CH][CH][CH][C-]1.CN(C)C[C]1[CH][CH][CH][C-]1.CN(C)C[C]1[CH][CH][CH][C-]1.[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.[Ti+4].[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

CN(C)C[C]1[CH][CH][CH][C-]1.CN(C)C[C]1[CH][CH][CH][C-]1.CN(C)C[C]1[CH][CH][CH][C-]1.[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.[Ti+4].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/3C8H11N.4C5H5.3Fe.Ti/c3*1-9(2)7-8-5-3-4-6-8;4*1-2-4-5-3-1;;;;/h3*3-5H,7H2,1-2H3;4*1-5H;;;;/q3*-1;;;;;3*+2;+4