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2-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate

2-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate

Systemtic Name:2-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate
Openeye Name:2-[2-(dimethylammonio)ethylsulfanyl]benzoate
CAS Name:2-[2-(dimethylammonio)ethylthio]benzoate
IUPAC Name:2-[2-(dimethylazaniumyl)ethylsulfanyl]benzoate
Traditional Name:2-[2-(dimethylammonio)ethylthio]benzoate
Formula: C11H15NO2S
MolecularWeight: 225.3073
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=CC=CC=C1C(=O)[O-]


Isomeric SMILES

C[NH+](C)CCSC1=CC=CC=C1C(=O)[O-]


InChI

InChI=1S/C11H15NO2S/c1-12(2)7-8-15-10-6-4-3-5-9(10)11(13)14/h3-6H,7-8H2,1-2H3,(H,13,14)


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