1-[1,3,5-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2,3-triazinan-2-yl]propan-1-one

Systemtic Name: 1-[1,3,5-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2,3-triazinan-2-yl]propan-1-one Openeye Name: 1-[1,3,5-tris(3,5-ditert-butyl-4-hydroxy-phenyl)triazinan-2-yl]propan-1-one CAS Name: 1-[1,3,5-tris(3,5-ditert-butyl-4-hydroxyphenyl)-2-triazinanyl]-1-propanone IUPAC Name: 1-[1,3,5-tris(3,5-ditert-butyl-4-hydroxyphenyl)triazinan-2-yl]propan-1-one Traditional Name: 1-[1,3,5-tris(3,5-ditert-butyl-4-hydroxy-phenyl)triazinan-2-yl]propan-1-one Formula: C48H73N3O4 MolecularWeight: 756.11092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1N(CC(CN1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC(=O)N1N(CC(CN1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C48H73N3O4/c1-20-39(52)51-49(31-23-35(45(8,9)10)41(54)36(24-31)46(11,12)13)27-30(29-21-33(43(2,3)4)40(53)34(22-29)44(5,6)7)28-50(51)32-25-37(47(14,15)16)42(55)38(26-32)48(17,18)19/h21-26,30,53-55H,20,27-28H2,1-19H3