2-oxidanylpropane-1,2,3-tricarboxylate; 2-[1-(phenylsulfonyl)ethyl]guanidine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2-[1-(phenylsulfonyl)ethyl]guanidine Openeye Name: 2-[1-(benzenesulfonyl)ethyl]guanidine citrate CAS Name: 2-[1-(benzenesulfonyl)ethyl]guanidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-[1-(benzenesulfonyl)ethyl]guanidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(1-besylethyl)guanidine citrate Formula: C15H18N3O9S-3 MolecularWeight: 416.38312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O2S.C6H8O7/c1-7(12-9(10)11)15(13,14)8-5-3-2-4-6-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7H,1H3,(H4,10,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3