Basic information
- CAS
38865-09-7- Standard SMILES
CC[NH+](CC)CCCC(C)OC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OC(C)CCC[NH+](CC)CC)ccc1-2.[Cl-].[Cl-]- InChIKey
SDRWLYVXCYBHTB-UHFFFAOYSA-N- Molecular formula
- C33H48Cl2N2O5
- Average molar mass
- 623.6 g/mol
- Monoisotopic mass
- 622.294028
Names & identifiers
- Preferred name
- 9H-Fluorene-2,7-dicarboxylic acid, 9-oxo-, bis(4-(diethylamino)-1-methylbutyl) ester, hydrochloride, hydrate (3:6:1)
- IUPAC
- 4-[7-[5-(diethylazaniumyl)pentan-2-yloxycarbonyl]-9-oxofluorene-2-carbonyl]oxypentyl-diethylazanium dichloride
Names & synonyms
38865-09-79H-Fluorene-2,7-dicarboxylic acid, 9-oxo-, bis(4-(diethylamino)-1-methylbutyl) ester, hydrochloride, hydrate (3:6:1)RefChem:313491
Database identifiers
- CAS
38865-09-7- PubChem CID
- 38112
Properties
Computed structural properties
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 747
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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