2-Pyridinecarboxylic acid, 5-((3-chloropropyl)thio)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
Basic information
- CAS
85446-89-5- Standard SMILES
Cc1c(C)c2c(c(C)c1OC(=O)c1ccc(SCCCCl)cn1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
DSYAYYCEMJEPOQ-UHFFFAOYSA-N- Molecular formula
- C38H58ClNO3S
- Average molar mass
- 644.4 g/mol
- Monoisotopic mass
- 643.3825936
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 5-((3-chloropropyl)thio)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(3-chloropropylsulfanyl)pyridine-2-carboxylate
- English name
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] 5-(3-ch loropropylsulfanyl)pyridine-2-carboxylate
- Molecular formula
- C38H58ClNO3S
- Molecular weight
- 0
Names & synonyms
85446-89-5dl-alpha-Tocopheryl 5-(3-chloropropylthio)picolinate2-Pyridinecarboxylic acid, 5-((3-chloropropyl)thio)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl esterRefChem:266617DTXSID4010059802,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-[(3-chloropropyl)sulfanyl]pyridine-2-carboxylate[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] 5-(3-ch loropropylsulfanyl)pyridine-2-carboxylate
Database identifiers
- CAS
85446-89-5- PubChem CID
- 3069876
- DTXSID
DTXSID401005980
Properties
Computed structural properties
- XLogP
- 13.2
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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