ethanedioic acid; 2-(2-phenylsulfanylethylamino)ethanol

Systemtic Name: ethanedioic acid; 2-(2-phenylsulfanylethylamino)ethanol Openeye Name: oxalic acid; 2-(2-phenylsulfanylethylamino)ethanol CAS Name: oxalic acid; 2-[2-(phenylthio)ethylamino]ethanol IUPAC Name: oxalic acid; 2-(2-phenylsulfanylethylamino)ethanol Traditional Name: oxalic acid; 2-[2-(phenylthio)ethylamino]ethanol Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H15NOS.C2H2O4/c12-8-6-11-7-9-13-10-4-2-1-3-5-10;3-1(4)2(5)6/h1-5,11-12H,6-9H2;(H,3,4)(H,5,6)