2-oxidanylpropane-1,2,3-tricarboxylate; 1-[1-(phenylsulfinyl)pentyl]pyrrolidine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-[1-(phenylsulfinyl)pentyl]pyrrolidine Openeye Name: 1-[1-(benzenesulfinyl)pentyl]pyrrolidine citrate CAS Name: 1-[1-(benzenesulfinyl)pentyl]pyrrolidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[1-(benzenesulfinyl)pentyl]pyrrolidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-[1-(benzenesulfinyl)pentyl]pyrrolidine citrate Formula: C21H28NO8S-3 MolecularWeight: 454.51392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(N1CCCC1)S(=O)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCC(N1CCCC1)S(=O)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H23NOS.C6H8O7/c1-2-3-11-15(16-12-7-8-13-16)18(17)14-9-5-4-6-10-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3