tritert-butyl 1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate

Systemtic Name: tritert-butyl 1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate Openeye Name: tritert-butyl 1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate CAS Name: 1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate Traditional Name: 1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylic acid tritert-butyl ester Formula: C26H50N4O6 MolecularWeight: 514.6984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCNCCN(CCCN(CCC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCNCCN(CCCN(CCC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)28-15-10-13-27-14-20-30(23(33)36-26(7,8)9)19-12-18-29(17-11-16-28)22(32)35-25(4,5)6/h27H,10-20H2,1-9H3