2-oxidanylpropane-1,2,3-tricarboxylate; 1-[2-(phenylsulfinyl)ethyl]urea; hydrate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-[2-(phenylsulfinyl)ethyl]urea; hydrate Openeye Name: 2-(benzenesulfinyl)ethylurea citrate hydrate CAS Name: 2-(benzenesulfinyl)ethylurea; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate IUPAC Name: 2-(benzenesulfinyl)ethylurea; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate Traditional Name: 2-(benzenesulfinyl)ethylurea citrate hydrate Formula: C15H19N2O10S-3 MolecularWeight: 419.38376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CCNC(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)CCNC(=O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

InChI

InChI=1S/C9H12N2O2S.C6H8O7.H2O/c10-9(12)11-6-7-14(13)8-4-2-1-3-5-8;7-3(8)1-6(13,5(11)12)2-4(9)10;/h1-5H,6-7H2,(H3,10,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/p-3