1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenyl-ethane-1,2-dione; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenyl-ethane-1,2-dione; 1,3,5-triazinane-2,4,6-trione Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenyl-ethane-1,2-dione; 1,3,5-triazinane-2,4,6-trione CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylethane-1,2-dione; 1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylethane-1,2-dione; 1,3,5-triazinane-2,4,6-trione Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-phenyl-ethane-1,2-dione; isocyanuric acid Formula: C69H81N3O12 MolecularWeight: 1144.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(=O)C2=CC=CC=C2.C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/3C22H26O3.C3H3N3O3/c3*1-21(2,3)16-12-15(13-17(20(16)25)22(4,5)6)19(24)18(23)14-10-8-7-9-11-14;7-1-4-2(8)6-3(9)5-1/h3*7-13,25H,1-6H3;(H3,4,5,6,7,8,9)