ethanedioic acid; 1-[2-(4-methylphenyl)sulfanylethyl]piperazine

Systemtic Name: ethanedioic acid; 1-[2-(4-methylphenyl)sulfanylethyl]piperazine Openeye Name: oxalic acid; 1-[2-(p-tolylsulfanyl)ethyl]piperazine CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]piperazine; oxalic acid Traditional Name: oxalic acid; 1-[2-(p-tolylthio)ethyl]piperazine Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCNCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCNCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2S.C2H2O4/c1-12-2-4-13(5-3-12)16-11-10-15-8-6-14-7-9-15;3-1(4)2(5)6/h2-5,14H,6-11H2,1H3;(H,3,4)(H,5,6)