2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(4-chlorobutoxy)pyridine-2-carboxylate

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Basic information

CAS: 85446-82-8
Standard SMILES: Cc1c(C)c2c(c(C)c1OC(=O)c1ccc(OCCCCCl)cn1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIKey: WLKSLWBWRZSBIL-UHFFFAOYSA-N
Molecular formula: C39H60ClNO4
Average molar mass: 642.3 g/mol
Monoisotopic mass: 641.4210871

Names & identifiers

Preferred name: 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(4-chlorobutoxy)pyridine-2-carboxylate
IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-chlorobutoxy)pyridine-2-carboxylate
English name: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] 5-(4-ch lorobutoxy)pyridine-2-carboxylate
Molecular formula: C39H60ClNO4
Molecular weight: 0

Names & synonyms

85446-82-8DTXSID7010059772,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(4-chlorobutoxy)pyridine-2-carboxylateRefChem:1060005DTXCID701432853dl-alpha-Tocopheryl 5-(4-chlorobutyloxy)picolinate2-Pyridinecarboxylic acid, 5-(4-chlorobutoxy)-, 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)chroman-6-yl] 5-(4-ch lorobutoxy)pyridine-2-carboxylate

Database identifiers

CAS: 85446-82-8
PubChem CID: 3069873
DTXSID: DTXSID701005977

Properties

Computed structural properties

XLogP: 13
Topological polar surface area: 57.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 20
Heavy atoms: 45
Formal charge: 0
Complexity: 840

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Compound notes

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