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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-[1-(phenylsulfinyl)butyl]pyrrolidine Openeye Name: 1-[1-(benzenesulfinyl)butyl]pyrrolidine citrate CAS Name: 1-[1-(benzenesulfinyl)butyl]pyrrolidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[1-(benzenesulfinyl)butyl]pyrrolidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-[1-(benzenesulfinyl)butyl]pyrrolidine citrate Formula: C20H26NO8S-3 MolecularWeight: 440.48734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NOS.C6H8O7/c1-2-8-14(15-11-6-7-12-15)17(16)13-9-4-3-5-10-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,9-10,14H,2,6-8,11-12H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3