sodium tris[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonyloxy]boron(1-)

Systemtic Name: sodium tris[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonyloxy]boron(1-) Openeye Name: sodium tris[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]oxy]boron(1-) CAS Name: sodium tris[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methoxy]boron(1-) IUPAC Name: sodium tris[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]oxy]boron(1-) Traditional Name: sodium tris[[(2S)-1-carbobenzoxyprolyl]oxy]boron(1-) Formula: C39H42BN3NaO12 MolecularWeight: 778.56445

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Descriptors Computed from Structure

Canonical SMILES:

[B-](OC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2)(OC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)OC(=O)C5CCCN5C(=O)OCC6=CC=CC=C6.[Na+]

Isomeric SMILES

[B-](OC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)(OC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4)OC(=O)[C@@H]5CCCN5C(=O)OCC6=CC=CC=C6.[Na+]

InChI

InChI=1S/C39H42BN3O12.Na/c44-34(31-19-10-22-41(31)37(47)50-25-28-13-4-1-5-14-28)53-40(54-35(45)32-20-11-23-42(32)38(48)51-26-29-15-6-2-7-16-29)55-36(46)33-21-12-24-43(33)39(49)52-27-30-17-8-3-9-18-30;/h1-9,13-18,31-33H,10-12,19-27H2;/q-1;+1/t31-,32-,33-;/m0./s1