bis(2-hydroxyethyl)azanium; 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: bis(2-hydroxyethyl)azanium; 2-(4-methylphenyl)sulfanylethanoate Openeye Name: bis(2-hydroxyethyl)ammonium; 2-(p-tolylsulfanyl)acetate CAS Name: bis(2-hydroxyethyl)ammonium; 2-[(4-methylphenyl)thio]acetate IUPAC Name: bis(2-hydroxyethyl)azanium; 2-(4-methylphenyl)sulfanylacetate Traditional Name: bis(2-hydroxyethyl)ammonium; 2-(p-tolylthio)acetate Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH2+]CCO

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)[O-].C(CO)[NH2+]CCO

InChI

InChI=1S/C9H10O2S.C4H11NO2/c1-7-2-4-8(5-3-7)12-6-9(10)11;6-3-1-5-2-4-7/h2-5H,6H2,1H3,(H,10,11);5-7H,1-4H2