2-[3-(4-chlorophenyl)sulfanylpropylamino]ethanol; ethanedioic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropylamino]ethanol; ethanedioic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropylamino]ethanol; oxalic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]propylamino]ethanol; oxalic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropylamino]ethanol; oxalic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]propylamino]ethanol; oxalic acid Formula: C13H18ClNO5S MolecularWeight: 335.80372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCNCCO)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1SCCCNCCO)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16ClNOS.C2H2O4/c12-10-2-4-11(5-3-10)15-9-1-6-13-7-8-14;3-1(4)2(5)6/h2-5,13-14H,1,6-9H2;(H,3,4)(H,5,6)