2-(4-bromophenyl)sulfanylethanoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-(4-bromophenyl)sulfanylethanoate; tris(2-hydroxyethyl)azanium Openeye Name: 2-(4-bromophenyl)sulfanylacetate; tris(2-hydroxyethyl)ammonium CAS Name: 2-[(4-bromophenyl)thio]acetate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(4-bromophenyl)sulfanylacetate; tris(2-hydroxyethyl)azanium Traditional Name: 2-[(4-bromophenyl)thio]acetate; tris(2-hydroxyethyl)ammonium Formula: C14H22BrNO5S MolecularWeight: 396.29718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)[O-])Br.C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)[O-])Br.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C8H7BrO2S.C6H15NO3/c9-6-1-3-7(4-2-6)12-5-8(10)11;8-4-1-7(2-5-9)3-6-10/h1-4H,5H2,(H,10,11);8-10H,1-6H2