1,5,9-tris[(4-nitrophenyl)sulfonyl]-1,5,9-triazacyclododecane-3,7,11-trione

Systemtic Name: 1,5,9-tris[(4-nitrophenyl)sulfonyl]-1,5,9-triazacyclododecane-3,7,11-trione Openeye Name: 1,5,9-tris[(4-nitrophenyl)sulfonyl]-1,5,9-triazacyclododecane-3,7,11-trione CAS Name: 1,5,9-tris[(4-nitrophenyl)sulfonyl]-1,5,9-triazacyclododecane-3,7,11-trione IUPAC Name: 1,5,9-tris[(4-nitrophenyl)sulfonyl]-1,5,9-triazacyclododecane-3,7,11-trione Traditional Name: 1,5,9-trinosyl-1,5,9-triazacyclododecane-3,7,11-trione Formula: C27H24N6O15S3 MolecularWeight: 768.70566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)CN(CC(=O)CN(CC(=O)CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)CN(CC(=O)CN(CC(=O)CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N6O15S3/c34-22-13-28(49(43,44)25-7-1-19(2-8-25)31(37)38)14-23(35)16-30(51(47,48)27-11-5-21(6-12-27)33(41)42)18-24(36)17-29(15-22)50(45,46)26-9-3-20(4-10-26)32(39)40/h1-12H,13-18H2