trisodium 1,1'-biphenyl borate

Systemtic Name: trisodium 1,1'-biphenyl borate Openeye Name: trisodium biphenyl borate CAS Name: trisodium 1,1'-biphenyl borate IUPAC Name: trisodium 1,1'-biphenyl borate Traditional Name: trisodium biphenyl borate Formula: C48H40BNa3O3 MolecularWeight: 744.60971

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.[Na+].[Na+].[Na+]

Isomeric SMILES

B([O-])([O-])[O-].C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2.[Na+].[Na+].[Na+]

InChI

InChI=1S/4C12H10.BO3.3Na/c4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2-1(3)4;;;/h4*1-10H;;;;/q;;;;-3;3*+1