2-(2-methylphenyl)sulfanylethanoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-(2-methylphenyl)sulfanylethanoate; tris(2-hydroxyethyl)azanium Openeye Name: 2-(o-tolylsulfanyl)acetate; tris(2-hydroxyethyl)ammonium CAS Name: 2-[(2-methylphenyl)thio]acetate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(2-methylphenyl)sulfanylacetate; tris(2-hydroxyethyl)azanium Traditional Name: 2-(o-tolylthio)acetate; tris(2-hydroxyethyl)ammonium Formula: C15H25NO5S MolecularWeight: 331.4277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)[O-].C(CO)[NH+](CCO)CCO

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)[O-].C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C9H10O2S.C6H15NO3/c1-7-4-2-3-5-8(7)12-6-9(10)11;8-4-1-7(2-5-9)3-6-10/h2-5H,6H2,1H3,(H,10,11);8-10H,1-6H2