9H-Fluorene-2,7-dicarboxylic acid, bis(5-(dimethylamino)-2,2-dimethylpentyl) ester, dihydrochloride

HCID 37441

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Basic information

CAS: 36417-33-1
Standard SMILES: C[NH+](C)CCCC(C)(C)COC(=O)c1ccc2c(c1)Cc1cc(C(=O)OCC(C)(C)CCC[NH+](C)C)ccc1-2.[Cl-].[Cl-]
InChIKey: ZHJXZIXPARYKHV-UHFFFAOYSA-N
Molecular formula: C33H50Cl2N2O4
Average molar mass: 609.7 g/mol
Monoisotopic mass: 608.3147635

Names & identifiers

Preferred name: 9H-Fluorene-2,7-dicarboxylic acid, bis(5-(dimethylamino)-2,2-dimethylpentyl) ester, dihydrochloride
IUPAC: [5-[7-[5-(dimethylazaniumyl)-2,2-dimethylpentoxy]carbonyl-9H-fluorene-2-carbonyl]oxy-4,4-dimethylpentyl]-dimethylazanium dichloride

Names & synonyms

36417-33-19H-Fluorene-2,7-dicarboxylic acid, bis(5-(dimethylamino)-2,2-dimethylpentyl) ester, dihydrochlorideBis(5-(dimethylamino)-2,2-dimethylpentyl) ester of 9H-fluorene-2,7-dicarboxylic acid 2HClRefChem:313492

Database identifiers

CAS: 36417-33-1
PubChem CID: 37441

Properties

Computed structural properties

Topological polar surface area: 61.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 16
Heavy atoms: 41
Formal charge: 0
Complexity: 729

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