tritert-butyl 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate hydrobromide

Systemtic Name: tritert-butyl 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate hydrobromide Openeye Name: tritert-butyl 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate hydrobromide CAS Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester hydrobromide IUPAC Name: tritert-butyl 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate hydrobromide Traditional Name: 2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester hydrobromide Formula: C24H47BrN4O6 MolecularWeight: 567.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCNCCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Br

Isomeric SMILES

CC1CN(CCN(CCNCCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Br

InChI

InChI=1S/C24H46N4O6.BrH/c1-18-17-27(20(30)33-23(5,6)7)16-15-26(19(29)32-22(2,3)4)13-11-25-12-14-28(18)21(31)34-24(8,9)10;/h18,25H,11-17H2,1-10H3;1H