tripotassium 3,5-ditert-butyl-2-[(2,4-ditert-butyl-6-carboxylato-phenoxy)-oxidanidyl-boranyl]oxy-benzoate

Systemtic Name: tripotassium 3,5-ditert-butyl-2-[(2,4-ditert-butyl-6-carboxylato-phenoxy)-oxidanidyl-boranyl]oxy-benzoate Openeye Name: tripotassium 3,5-ditert-butyl-2-[(2,4-ditert-butyl-6-carboxylato-phenoxy)-oxido-boranyl]oxy-benzoate CAS Name: tripotassium 3,5-ditert-butyl-2-[(2,4-ditert-butyl-6-carboxylatophenoxy)-oxidoboranyl]oxybenzoate IUPAC Name: tripotassium 3,5-ditert-butyl-2-[(2,4-ditert-butyl-6-carboxylatophenoxy)-oxidoboranyl]oxybenzoate Traditional Name: tripotassium 3,5-ditert-butyl-2-[(2,4-ditert-butyl-6-carboxylato-phenoxy)-oxido-boranyl]oxy-benzoate Formula: C30H40BK3O7 MolecularWeight: 640.7403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B([O-])(OC1=C(C=C(C=C1C(=O)[O-])C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2C(=O)[O-])C(C)(C)C)C(C)(C)C.[K+].[K+].[K+]

Isomeric SMILES

B([O-])(OC1=C(C=C(C=C1C(=O)[O-])C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2C(=O)[O-])C(C)(C)C)C(C)(C)C.[K+].[K+].[K+]

InChI

InChI=1S/C30H42BO7.3K/c1-27(2,3)17-13-19(25(32)33)23(21(15-17)29(7,8)9)37-31(36)38-24-20(26(34)35)14-18(28(4,5)6)16-22(24)30(10,11)12;;;/h13-16H,1-12H3,(H,32,33)(H,34,35);;;/q-1;3*+1/p-2