1-ethyl-1-(phenylsulfinyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-ethyl-1-(phenylsulfinyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-(benzenesulfinyl)-1-ethyl-guanidine citrate CAS Name: 1-(benzenesulfinyl)-1-ethylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-(benzenesulfinyl)-1-ethylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-(benzenesulfinyl)-1-ethyl-guanidine citrate Formula: C15H18N3O8S-3 MolecularWeight: 400.38372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3OS.C6H8O7/c1-2-12(9(10)11)14(13)8-6-4-3-5-7-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7H,2H2,1H3,(H3,10,11);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3