Basic information
- CAS
36417-37-5- Standard SMILES
CC[NH+](CC)CCCCCCOC(=O)c1ccc2c(c1)Cc1cc(C(=O)OCCCCCC[NH+](CC)CC)ccc1-2.[Cl-].[Cl-]- InChIKey
JXPIPYVOLSZNLH-UHFFFAOYSA-N- Molecular formula
- C35H54Cl2N2O4
- Average molar mass
- 637.7 g/mol
- Monoisotopic mass
- 636.3460636
Names & identifiers
- Preferred name
- 9H-Fluorene-2,7-dicarboxylic acid, bis(6-(diethylamino)hexyl) ester, dihydrochloride
- IUPAC
- 6-[7-[6-(diethylazaniumyl)hexoxycarbonyl]-9H-fluorene-2-carbonyl]oxyhexyl-diethylazanium dichloride
Names & synonyms
36417-37-59H-Fluorene-2,7-dicarboxylic acid, bis(6-(diethylamino)hexyl) ester, dihydrochlorideBis(6-(diethylamino)hexyl) ester of 9H-fluorene-2,7-dicarboxylic acid dihydrochorideRefChem:313493
Database identifiers
- CAS
36417-37-5- PubChem CID
- 37443
Properties
Computed structural properties
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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