2,4,6-Tris-(2'-hydroxy-4'-butoxyphenyl)-1,3,5-triazine

• CAS: 3135-19-1
• Catalog Number: ACM3135191
• Category: Other Products
• Molecular Weight: 573.7g/mol
• Molecular Formula: C33H39N3O6
• Synonyms: 2,4,6-tris-(2'-Hydroxy-4'-butoxyphenyl)-1,3,5-triazine;2,4,6-Tris(2Hydroxy-4Butoxyphengl)-1,3,5-Triazine
• IUPAC Name: 2-[4,6-bis(4-butoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-butoxyphenol
• Canonical SMILES: CCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)OCCCC)O)C4=C(C=C(C=C4)OCCCC)O)O
• InChI: InChI=1S/C33H39N3O6/c1-4-7-16-40-22-10-13-25(28(37)19-22)31-34-32(26-14-11-23(20-29(26)38)41-17-8-5-2)36-33(35-31)27-15-12-24(21-30(27)39)42-18-9-6-3/h10-15,19-21,37-39H,4-9,16-18H2,1-3H3
• InChI Key: BOYPAYBWCQZOGC-UHFFFAOYSA-N
• Complexity: 642
• Covalently-Bonded Unit Count: 1
• Exact Mass: 573.283886g/mol
• Formal Charge: 0
• H-Bond Acceptor: 9
• H-Bond Donor: 3
• Heavy Atom Count: 42
• Monoisotopic Mass: 573.283886g/mol
• Rotatable Bond Count: 15
• XLogP3: 7.6