trisodium; lanthanum; (1R)-2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]-(phenylmethyl)amino]-1-phenyl-ethanolate

Systemtic Name: trisodium; lanthanum; (1R)-2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]-(phenylmethyl)amino]-1-phenyl-ethanolate Openeye Name: trisodium; (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-1-phenyl-ethanolate; lanthanum CAS Name: trisodium; (1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]-(phenylmethyl)amino]-1-phenylethanolate; lanthanum IUPAC Name: trisodium; (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanolate; lanthanum Traditional Name: trisodium; (1R)-2-[benzyl-[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-1-phenyl-ethanolate; lanthanum Formula: C69H72LaN3Na3O6 MolecularWeight: 1247.20129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)[O-].C1=CC=C(C=C1)CN(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)[O-].C1=CC=C(C=C1)CN(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)[O-].[Na+].[Na+].[Na+].[La]

Isomeric SMILES

C1=CC=C(C=C1)CN(C[C@@H](C2=CC=CC=C2)O)C[C@@H](C3=CC=CC=C3)[O-].C1=CC=C(C=C1)CN(C[C@@H](C2=CC=CC=C2)O)C[C@@H](C3=CC=CC=C3)[O-].C1=CC=C(C=C1)CN(C[C@@H](C2=CC=CC=C2)O)C[C@@H](C3=CC=CC=C3)[O-].[Na+].[Na+].[Na+].[La]

InChI

InChI=1S/3C23H24NO2.La.3Na/c3*25-22(20-12-6-2-7-13-20)17-24(16-19-10-4-1-5-11-19)18-23(26)21-14-8-3-9-15-21;;;;/h3*1-15,22-23,25H,16-18H2;;;;/q3*-1;;3*+1/t3*22-,23-;;;;/m000..../s1