3-chloranyl-N'-sulfamoyl-propanimidamide; 2,4,5-tris(chloranyl)benzenesulfonic acid

Systemtic Name: 3-chloranyl-N'-sulfamoyl-propanimidamide; 2,4,5-tris(chloranyl)benzenesulfonic acid Openeye Name: 3-chloro-N'-sulfamoyl-propanamidine; 2,4,5-trichlorobenzenesulfonic acid CAS Name: 3-chloro-N'-sulfamoylpropanimidamide; 2,4,5-trichlorobenzenesulfonic acid IUPAC Name: 3-chloro-N'-sulfamoylpropanimidamide; 2,4,5-trichlorobenzenesulfonic acid Traditional Name: 3-chloro-N'-sulfamoyl-propionamidine; 2,4,5-trichlorobesylic acid Formula: C9H11Cl4N3O5S2 MolecularWeight: 447.14274

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)O.C(CCl)C(=NS(=O)(=O)N)N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)O.C(CCl)/C(=N\S(=O)(=O)N)/N

InChI

InChI=1S/C6H3Cl3O3S.C3H8ClN3O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;4-2-1-3(5)7-10(6,8)9/h1-2H,(H,10,11,12);1-2H2,(H2,5,7)(H2,6,8,9)