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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanylbutylamino]ethanol; ethanedioic acid Openeye Name: 2-[4-(4-chlorophenyl)sulfanylbutylamino]ethanol; oxalic acid CAS Name: 2-[4-[(4-chlorophenyl)thio]butylamino]ethanol; oxalic acid IUPAC Name: 2-[4-(4-chlorophenyl)sulfanylbutylamino]ethanol; oxalic acid Traditional Name: 2-[4-[(4-chlorophenyl)thio]butylamino]ethanol; oxalic acid Formula: C14H20ClNO5S MolecularWeight: 349.8303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCNCCO)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1SCCCCNCCO)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18ClNOS.C2H2O4/c13-11-3-5-12(6-4-11)16-10-2-1-7-14-8-9-15;3-1(4)2(5)6/h3-6,14-15H,1-2,7-10H2;(H,3,4)(H,5,6)