Triethanolamine aluminate barium salt

• CAS: 198991-85-4
• Catalog Number: ACM198991854
• Category: Other Products
• Molecular Weight: 630.79
• Molecular Formula: C18H37Al2BaN3O9
• Synonyms: Triethanolamine aluminate barium salt;198991-85-4;CTK8G3595;DTXSID40587320;[|I3-[[2,2 inverted exclamation marka-[[2-(Hydroxy-|EO)ethyl]imino-|EN]bis[ethanolato-|EO:|EO]](2-)]]bis[[[2,2 inverted exclamation marka,2 inverted exclamation marka inverted exclamation marka-(nitrilo-|EN)tris[ethanolato-|EO]](3-)]aluminum]barium;Barium 1,1'-{[(2-hydroxyethyl)azanediyl]bis[(ethane-2,1-diyl)oxy]}bis(2,8,9-trioxa-5-aza-1-aluminabicyclo[3.3.3]undecan-1-uide)
• IUPAC Name: Triethanolamine aluminate barium salt
• Canonical SMILES: C1CO[Al-]2(OCCN1CCO2)OCCN(CCO)CCO[Al-]34OCCN(CCO3)CCO4.[Ba+2]
• InChI: InChI=1S/C6H13NO3.2C6H12NO3.2Al.Ba/c3*8-4-1-7(2-5-9)3-6-10;;;/h8H,1-6H2;2*1-6H2;;;/q-2;2*-3;2*+3;+2
• InChI Key: LMRQYWULUTVMDD-UHFFFAOYSA-N
• Complexity: 471
• Covalently-Bonded Unit Count: 2
• Exact Mass: 631.12100
• H-Bond Acceptor: 14
• H-Bond Donor: 1
• Heavy Atom Count: 33
• Monoisotopic Mass: 631.121g/mol
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 104A^2