2-(4-chlorophenyl)sulfanylethanoic acid; 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 2-(4-chlorophenyl)sulfanylethanoic acid; 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 2-(4-chlorophenyl)sulfanylacetic acid; 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol CAS Name: 2-[(4-chlorophenyl)thio]acetic acid; 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid; 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid; 2-(dimethylamino)-2-methylol-propane-1,3-diol Formula: C14H22ClNO5S MolecularWeight: 351.84618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CO)(CO)CO.C1=CC(=CC=C1SCC(=O)O)Cl

Isomeric SMILES

CN(C)C(CO)(CO)CO.C1=CC(=CC=C1SCC(=O)O)Cl

InChI

InChI=1S/C8H7ClO2S.C6H15NO3/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-7(2)6(3-8,4-9)5-10/h1-4H,5H2,(H,10,11);8-10H,3-5H2,1-2H3