2-hydroxyethylazanium; 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: 2-hydroxyethylazanium; 2-(4-methylphenyl)sulfanylethanoate Openeye Name: 2-hydroxyethylammonium; 2-(p-tolylsulfanyl)acetate CAS Name: 2-hydroxyethylammonium; 2-[(4-methylphenyl)thio]acetate IUPAC Name: 2-hydroxyethylazanium; 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-hydroxyethylammonium; 2-(p-tolylthio)acetate Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C9H10O2S.C2H7NO/c1-7-2-4-8(5-3-7)12-6-9(10)11;3-1-2-4/h2-5H,6H2,1H3,(H,10,11);4H,1-3H2