Carbonic acid, bis(3-(trimethylammonio)phenyl) ester, dimethylsulfate

methyl sulfate;trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium

CAS: 64048-25-5

Molecular Formula	`C21H32N2O11S2`
Molecular Weight	552.6 g/mol
Topological Polar Surface Area	185.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	552.1448
Heavy Atoms	36
Complexity	478.0

Chemical Identifiers

CAS Number	64048-25-5
SMILES	`C[N+](C)(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]`
InChIKey	`YDELETNZBSWDON-UHFFFAOYSA-L`

📖 Product Overview

Carbonic acid, bis(3-(trimethylammonio)phenyl) ester, dimethylsulfate (CAS: 64048-25-5) is a chemical compound with molecular formula C21H32N2O11S2 and molecular weight 552.6 g/mol. Its IUPAC systematic name is methyl sulfate;trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium. Topological Polar Surface Area 185.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 11 Rotatable Bonds 6 Exact Mass 552.1448 Heavy Atoms 36 Complexity 478.0 InChI Key: YDELETNZBSWDON-UHFFFAOYSA-L. SMILES: C[N+](C)(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-].

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