Ammonium, 3,3'-carbonyldioxybis(phenyltrimethyl-dimethylsulfate

HCID 46752

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Basic information

CAS: 64048-25-5
Standard SMILES: COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[N+](C)(C)c1cccc(OC(=O)Oc2cccc([N+](C)(C)C)c2)c1
InChIKey: YDELETNZBSWDON-UHFFFAOYSA-L
Molecular formula: C21H32N2O11S2
Average molar mass: 552.6 g/mol
Monoisotopic mass: 552.14475219

Names & identifiers

Preferred name: Ammonium, 3,3'-carbonyldioxybis(phenyltrimethyl-dimethylsulfate
IUPAC: methyl sulfate;trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium

Names & synonyms

Carbonic acid, bis(3-(trimethylammonio)phenyl) ester, dimethylsulfateBis(3-trimethylphenylammonium)-carbonate-di-methylsulfate64048-25-5DTXSID20214142Ammonium, 3,3'-carbonyldioxybis(phenyltrimethyl-dimethylsulfateRefChem:319132DTXCID20136633AMMONIUM, 3,3'-CARBONYLDIOXYBIS(PHENYLTRIMETHYL- DIMETHYLSULFATE3,3'-[carbonylbis(oxy)]bis(N,N,N-trimethylanilinium) bis(methyl sulfate)

Database identifiers

CAS: 64048-25-5
PubChem CID: 46752
DTXSID: DTXSID20214142

Properties

Computed structural properties

Topological polar surface area: 185 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 6
Heavy atoms: 36
Formal charge: 0
Complexity: 478

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