trisodium benzene-1,2-diol borate

Systemtic Name: trisodium benzene-1,2-diol borate Openeye Name: trisodium benzene-1,2-diol borate CAS Name: trisodium benzene-1,2-diol borate IUPAC Name: trisodium benzene-1,2-diol borate Traditional Name: trisodium pyrocatechol borate Formula: C12H12BNa3O7 MolecularWeight: 347.99979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O2.BO3.3Na/c2*7-5-3-1-2-4-6(5)8;2-1(3)4;;;/h2*1-4,7-8H;;;;/q;;-3;3*+1