chloranylrhenium; phenol; pyridine; tri(pyrazol-1-yl)boron(1-)

Systemtic Name: chloranylrhenium; phenol; pyridine; tri(pyrazol-1-yl)boron(1-) Openeye Name: chlororhenium; phenol; pyridine; tri(pyrazol-1-yl)boron(1-) CAS Name: chlororhenium; phenol; pyridine; tris(1-pyrazolyl)boron(1-) IUPAC Name: chlororhenium; phenol; pyridine; tri(pyrazol-1-yl)boron(1-) Traditional Name: chlororhenium; phenol; pyridine; tri(pyrazol-1-yl)boron(1-) Formula: C20H20BClN7ORe- MolecularWeight: 606.8901

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.C1=CC=C(C=C1)O.C1=CC=NC=C1.Cl[Re]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.C1=CC=C(C=C1)O.C1=CC=NC=C1.Cl[Re]

InChI

InChI=1S/C9H9BN6.C6H6O.C5H5N.ClH.Re/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;;/h1-9H;1-5,7H;1-5H;1H;/q-1;;;;+1/p-1