magnesium tert-butyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]benzoate sulfate

Systemtic Name: magnesium tert-butyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]benzoate sulfate Openeye Name: magnesium tert-butyl 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]benzoate sulfate CAS Name: magnesium 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]benzoic acid tert-butyl ester sulfate IUPAC Name: magnesium tert-butyl 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]benzoate sulfate Traditional Name: magnesium 4-[(2-benzoxy-5-bromo-benzyl)amino]benzoic acid tert-butyl ester sulfate Formula: C25H26BrMgNO7S MolecularWeight: 588.75044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3.[O-]S(=O)(=O)[O-].[Mg+2]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3.[O-]S(=O)(=O)[O-].[Mg+2]

InChI

InChI=1S/C25H26BrNO3.Mg.H2O4S/c1-25(2,3)30-24(28)19-9-12-22(13-10-19)27-16-20-15-21(26)11-14-23(20)29-17-18-7-5-4-6-8-18;;1-5(2,3)4/h4-15,27H,16-17H2,1-3H3;;(H2,1,2,3,4)/q;+2;/p-2