zinc; 2,4-bis(chloranyl)-5-sulfamoyl-benzoate; pyridin-2-ylmethanamine; hydrate

Systemtic Name: zinc; 2,4-bis(chloranyl)-5-sulfamoyl-benzoate; pyridin-2-ylmethanamine; hydrate Openeye Name: zinc; 2,4-dichloro-5-sulfamoyl-benzoate; 2-pyridylmethanamine; hydrate CAS Name: zinc; 2,4-dichloro-5-sulfamoylbenzoate; 2-pyridinylmethanamine; hydrate IUPAC Name: zinc; 2,4-dichloro-5-sulfamoylbenzoate; pyridin-2-ylmethanamine; hydrate Traditional Name: zinc; 2,4-dichloro-5-sulfamoyl-benzoate; 2-pyridylmethylamine; hydrate Formula: C20H18Cl4N4O9S2Zn MolecularWeight: 729.72932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN.C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)[O-].C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)[O-].O.[Zn+2]

Isomeric SMILES

C1=CC=NC(=C1)CN.C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)[O-].C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)[O-].O.[Zn+2]

InChI

InChI=1S/2C7H5Cl2NO4S.C6H8N2.H2O.Zn/c2*8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12;7-5-6-3-1-2-4-8-6;;/h2*1-2H,(H,11,12)(H2,10,13,14);1-4H,5,7H2;1H2;/q;;;;+2/p-2