RefChem:1060008
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-butylsulfanylpyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-butylthiopicolinate|2-Pyridinecarboxylic acid, 5-(butylthio)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester|[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-butylsulfanylpyridine-2-carboxylate|2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(butylsulfanyl)pyridine-2-carboxylate|2-Pyridinecarboxylic acid,5-(butylthio)-,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
| Molecular Formula | C39H61NO3S |
|---|---|
| Molecular Weight | 623.4372 g/mol |
| LogP | 11.64106 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 623.4372 |
| Monoisotopic Mass | 623.4372 |
| Heavy Atoms | 44 |
| Complexity | 1191.0892 |
Chemical Identifiers
| CAS Number | 85446-84-0 |
|---|---|
| SMILES | CCCCSC1=CN=C(C=C1)C(=O)OC2=C(C3=C(C(=C2C)C)OC(CC3)(C)CCCC(C)CCCC(C)CCCC(C)C)C |
Product Overview
RefChem:1060008 (CAS 85446-84-0), with molecular formula C39H61NO3S and molecular weight 623.4372 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-butylsulfanylpyridine-2-carboxylate.
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