magnesium [(2-phenylmethoxyphenyl)methylamino] 5-bromanyl-2-tert-butyl-benzoate sulfate

Systemtic Name: magnesium [(2-phenylmethoxyphenyl)methylamino] 5-bromanyl-2-tert-butyl-benzoate sulfate Openeye Name: magnesium [(2-benzyloxyphenyl)methylamino] 5-bromo-2-tert-butyl-benzoate sulfate CAS Name: magnesium 5-bromo-2-tert-butylbenzoic acid [(2-phenylmethoxyphenyl)methylamino] ester sulfate IUPAC Name: magnesium [(2-phenylmethoxyphenyl)methylamino] 5-bromo-2-tert-butylbenzoate sulfate Traditional Name: magnesium 5-bromo-2-tert-butyl-benzoic acid [(2-benzoxybenzyl)amino] ester sulfate Formula: C25H26BrMgNO7S MolecularWeight: 588.75044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)Br)C(=O)ONCC2=CC=CC=C2OCC3=CC=CC=C3.[O-]S(=O)(=O)[O-].[Mg+2]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)Br)C(=O)ONCC2=CC=CC=C2OCC3=CC=CC=C3.[O-]S(=O)(=O)[O-].[Mg+2]

InChI

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