cyclopentane; samarium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-)

Systemtic Name: cyclopentane; samarium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) Openeye Name: cyclopentane; samarium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) CAS Name: cyclopentane; samarium(3+); tris(3,5-dimethyl-1-pyrazolyl)boron(1-) IUPAC Name: cyclopentane; samarium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) Traditional Name: cyclopentane; samarium(3+); tris(3,5-dimethylpyrazol-1-yl)boron(1-) Formula: C35H47B2N12Sm+ MolecularWeight: 807.81008

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.[CH]1[CH][CH][CH][CH]1.[Sm+3]

Isomeric SMILES

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.[CH]1[CH][CH][CH][CH]1.[Sm+3]

InChI

InChI=1S/2C15H21BN6.C5H5.Sm/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-2-4-5-3-1;/h2*7-9H,1-6H3;1-5H;/q2*-1;;+3