3-bromanyl-5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]benzoate

Systemtic Name: 3-bromanyl-5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]benzoate Openeye Name: 3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]benzoate CAS Name: 3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]benzoate IUPAC Name: 3-bromo-5-chloro-2-[2-(dimethylazaniumyl)ethoxy]benzoate Traditional Name: 3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]benzoate Formula: C11H13BrClNO3 MolecularWeight: 322.58282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1C(=O)[O-])Cl)Br

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1C(=O)[O-])Cl)Br

InChI

InChI=1S/C11H13BrClNO3/c1-14(2)3-4-17-10-8(11(15)16)5-7(13)6-9(10)12/h5-6H,3-4H2,1-2H3,(H,15,16)