ethanedioic acid; 1-[3-(4-methylphenyl)sulfanylpropylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[3-(4-methylphenyl)sulfanylpropylamino]propan-2-ol Openeye Name: oxalic acid; 1-[3-(p-tolylsulfanyl)propylamino]propan-2-ol CAS Name: 1-[3-[(4-methylphenyl)thio]propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropylamino]propan-2-ol; oxalic acid Traditional Name: oxalic acid; 1-[3-(p-tolylthio)propylamino]propan-2-ol Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNCC(C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNCC(C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21NOS.C2H2O4/c1-11-4-6-13(7-5-11)16-9-3-8-14-10-12(2)15;3-1(4)2(5)6/h4-7,12,14-15H,3,8-10H2,1-2H3;(H,3,4)(H,5,6)