tert-butylazanide; N-tert-butylethanimine; cyclopentane; zirconium(2+); zirconium(4+)

Systemtic Name: tert-butylazanide; N-tert-butylethanimine; cyclopentane; zirconium(2+); zirconium(4+) Openeye Name: tert-butylazanide; N-tert-butylethanimine; cyclopentane; zirconium(2+); zirconium(4+) CAS Name: tert-butylazanide; N-tert-butylethanimine; cyclopentane; zirconium(2+); zirconium(4+) IUPAC Name: tert-butylazanide; N-tert-butylethanimine; cyclopentane; zirconium(2+); zirconium(4+) Traditional Name: tert-butylazanide; tert-butyl(ethylidene)amine; cyclopentane; zirconium(2+); zirconium(4+) Formula: C30H42N2Zr2+4 MolecularWeight: 613.11588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH-].CC(C)(C)N=C[CH2-].[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.[Zr+2].[Zr+4]

Isomeric SMILES

CC(C)(C)[NH-].CC(C)(C)N=C[CH2-].[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.[Zr+2].[Zr+4]

InChI

InChI=1S/C6H12N.4C5H5.C4H10N.2Zr/c1-5-7-6(2,3)4;4*1-2-4-5-3-1;1-4(2,3)5;;/h5H,1H2,2-4H3;4*1-5H;5H,1-3H3;;/q-1;;;;;-1;+2;+4