Basic information
- CAS
68568-82-1- Standard SMILES
CCCCCCCCc1ccc([O-])c(CNCCN(CCNCc2cc(CCCCCCCC)ccc2[O-])Cc2cc(CCCCCCCC)ccc2O)c1.[Ca+2]- InChIKey
RWWNWXPUTUJRBY-UHFFFAOYSA-L- Molecular formula
- C49H77CaN3O3
- Average molar mass
- 796.2 g/mol
- Monoisotopic mass
- 795.5590842
Names & identifiers
- Preferred name
- Phenol, 2,2'-[[[(2-hydroxy-5-octylphenyl)methyl]imino]bis(2,1-ethanediyliminomethylene)]bis[4-octyl-, calcium salt (1:?)
- IUPAC
- calcium 2-[[2-[(2-hydroxy-5-octylphenyl)methyl-[2-[(5-octyl-2-oxidophenyl)methylamino]ethyl]amino]ethylamino]methyl]-4-octylphenolate
Names & synonyms
EINECS 271-504-8N,N-Bis-(2-(2-hydroxy-5-octylbenzylamino)ethyl)-2-hydroxy-5-octylbenzylamine, calcium salt68568-82-1Phenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium saltPhenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium salt (1:?)Phenol, 2,2'-[[[(2-hydroxy-5-octylphenyl)methyl]imino]bis(2,1-ethanediyliminomethylene)]bis[4-octyl-, calcium salt (1:?)RefChem:860658DTXSID20892429RWWNWXPUTUJRBY-UHFFFAOYSA-LNS00063306Calcium 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(ethane-1,2-diyliminomethylene))bis(4-octylphenolate)Calcium 2,2'-[{[(2-hydroxy-5-octylphenyl)methyl]azanediyl}bis(ethane-2,1-diylazanediylmethylene)]bis(4-octylphenolate)
Show more names
Calcium 2,2'-{[(2-hydroxy-5-octylbenzyl)imino]bis(2,1-ethanediyliminomethylene)}bis(4-octylphenolate)
Properties
Computed structural properties
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 33
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 828
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2'-[[[(2-hydroxy-5-octylphenyl)methyl]imino]bis(2,1-ethanediyliminomethylene)]bis[4-octyl-, calcium salt (1:?): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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