cyclopentane; [(2R,3R)-3-methanidylheptan-2-yl]-phenyl-azanide; zirconium(4+)

Systemtic Name: cyclopentane; [(2R,3R)-3-methanidylheptan-2-yl]-phenyl-azanide; zirconium(4+) Openeye Name: cyclopentane; [(1R,2R)-2-methanidyl-1-methyl-hexyl]-phenyl-azanide; zirconium(4+) CAS Name: cyclopentane; [(2R,3R)-3-methanidylheptan-2-yl]-phenylazanide; zirconium(4+) IUPAC Name: cyclopentane; [(2R,3R)-3-methanidylheptan-2-yl]-phenylazanide; zirconium(4+) Traditional Name: cyclopentane; [(1R,2R)-2-methanidyl-1-methyl-hexyl]-phenyl-azanide; zirconium(4+) Formula: C24H31NZr+2 MolecularWeight: 424.73364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([CH2-])C(C)[N-]C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CCCC[C@@H]([CH2-])[C@@H](C)[N-]C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C14H21N.2C5H5.Zr/c1-4-5-9-12(2)13(3)15-14-10-7-6-8-11-14;2*1-2-4-5-3-1;/h6-8,10-13H,2,4-5,9H2,1,3H3;2*1-5H;/q-2;;;+4/t12-,13-;;;/m1.../s1