N,N-diethyl-2-(phenylsulfinyl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-diethyl-2-(phenylsulfinyl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(benzenesulfinyl)-N,N-diethyl-ethanamine citrate CAS Name: 2-(benzenesulfinyl)-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(benzenesulfinyl)-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(benzenesulfinyl)ethyl-diethyl-amine citrate Formula: C18H24NO8S-3 MolecularWeight: 414.45006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)C1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCS(=O)C1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C12H19NOS.C6H8O7/c1-3-13(4-2)10-11-15(14)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3