ethanedioic acid; 1-(5-phenylsulfanylpentyl)pyrrolidine

Systemtic Name: ethanedioic acid; 1-(5-phenylsulfanylpentyl)pyrrolidine Openeye Name: oxalic acid; 1-(5-phenylsulfanylpentyl)pyrrolidine CAS Name: oxalic acid; 1-[5-(phenylthio)pentyl]pyrrolidine IUPAC Name: oxalic acid; 1-(5-phenylsulfanylpentyl)pyrrolidine Traditional Name: oxalic acid; 1-[5-(phenylthio)pentyl]pyrrolidine Formula: C17H25NO4S MolecularWeight: 339.4497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23NS.C2H2O4/c1-3-9-15(10-4-1)17-14-8-2-5-11-16-12-6-7-13-16;3-1(4)2(5)6/h1,3-4,9-10H,2,5-8,11-14H2;(H,3,4)(H,5,6)