1-[8-(5,5-dimethylhexyl)-8-octyl-heptadecyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-[8-(5,5-dimethylhexyl)-8-octyl-heptadecyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[8-(5,5-dimethylhexyl)-8-octyl-heptadecyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[8-(5,5-dimethylhexyl)-8-octylheptadecyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[8-(5,5-dimethylhexyl)-8-octylheptadecyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[8-(5,5-dimethylhexyl)-8-octyl-heptadecyl]isocyanuric acid Formula: C36H69N3O3 MolecularWeight: 591.95136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(CCCCCCCN1C(=O)NC(=O)NC1=O)CCCCC(C)(C)C

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(CCCCCCCN1C(=O)NC(=O)NC1=O)CCCCC(C)(C)C

InChI

InChI=1S/C36H69N3O3/c1-6-8-10-12-14-17-21-28-36(27-20-16-13-11-9-7-2,30-24-23-26-35(3,4)5)29-22-18-15-19-25-31-39-33(41)37-32(40)38-34(39)42/h6-31H2,1-5H3,(H2,37,38,40,41,42)