1,3,5-tris[(3-cyclohexyl-4-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris[(3-cyclohexyl-4-oxidanyl-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[(3-cyclohexyl-4-hydroxy-phenyl)methyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris[(3-cyclohexyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris[(3-cyclohexyl-4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris(3-cyclohexyl-4-hydroxy-benzyl)isocyanuric acid Formula: C42H51N3O6 MolecularWeight: 693.87084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=CC(=C2)CN3C(=O)N(C(=O)N(C3=O)CC4=CC(=C(C=C4)O)C5CCCCC5)CC6=CC(=C(C=C6)O)C7CCCCC7)O

Isomeric SMILES

C1CCC(CC1)C2=C(C=CC(=C2)CN3C(=O)N(C(=O)N(C3=O)CC4=CC(=C(C=C4)O)C5CCCCC5)CC6=CC(=C(C=C6)O)C7CCCCC7)O

InChI

InChI=1S/C42H51N3O6/c46-37-19-16-28(22-34(37)31-10-4-1-5-11-31)25-43-40(49)44(26-29-17-20-38(47)35(23-29)32-12-6-2-7-13-32)42(51)45(41(43)50)27-30-18-21-39(48)36(24-30)33-14-8-3-9-15-33/h16-24,31-33,46-48H,1-15,25-27H2