benzene; 2,6-diphenylphenol; tris(chloranyl)niobium

Systemtic Name: benzene; 2,6-diphenylphenol; tris(chloranyl)niobium Openeye Name: benzene; 2,6-diphenylphenol; trichloroniobium CAS Name: benzene; 2,6-diphenylphenol; trichloroniobium IUPAC Name: benzene; 2,6-diphenylphenol; trichloroniobium Traditional Name: benzene; 2,6-diphenylphenol; trichloroniobium Formula: C78H62Cl6Nb2O4 MolecularWeight: 1461.85524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.Cl[Nb](Cl)Cl.Cl[Nb](Cl)Cl

Isomeric SMILES

C1=CC=CC=C1.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.Cl[Nb](Cl)Cl.Cl[Nb](Cl)Cl

InChI

InChI=1S/4C18H14O.C6H6.6ClH.2Nb/c4*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2-4-6-5-3-1;;;;;;;;/h4*1-13,19H;1-6H;6*1H;;/q;;;;;;;;;;;2*+3/p-6