2-(4-chlorophenyl)sulfanylethanoic acid; 2-(dimethylamino)ethanol

Systemtic Name: 2-(4-chlorophenyl)sulfanylethanoic acid; 2-(dimethylamino)ethanol Openeye Name: 2-(4-chlorophenyl)sulfanylacetic acid; 2-(dimethylamino)ethanol CAS Name: 2-[(4-chlorophenyl)thio]acetic acid; 2-(dimethylamino)ethanol IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid; 2-(dimethylamino)ethanol Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid; 2-(dimethylamino)ethanol Formula: C12H18ClNO3S MolecularWeight: 291.79422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClO2S.C4H11NO/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-5(2)3-4-6/h1-4H,5H2,(H,10,11);6H,3-4H2,1-2H3