ethanedioic acid; 1-(4-phenylsulfanylbutyl)pyrrolidine

Systemtic Name: ethanedioic acid; 1-(4-phenylsulfanylbutyl)pyrrolidine Openeye Name: oxalic acid; 1-(4-phenylsulfanylbutyl)pyrrolidine CAS Name: oxalic acid; 1-[4-(phenylthio)butyl]pyrrolidine IUPAC Name: oxalic acid; 1-(4-phenylsulfanylbutyl)pyrrolidine Traditional Name: oxalic acid; 1-[4-(phenylthio)butyl]pyrrolidine Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NS.C2H2O4/c1-2-8-14(9-3-1)16-13-7-6-12-15-10-4-5-11-15;3-1(4)2(5)6/h1-3,8-9H,4-7,10-13H2;(H,3,4)(H,5,6)