calcium 2-azanyl-4,5-bis(chloranyl)benzenesulfonate

Systemtic Name: calcium 2-azanyl-4,5-bis(chloranyl)benzenesulfonate Openeye Name: calcium 2-amino-4,5-dichloro-benzenesulfonate CAS Name: calcium 2-amino-4,5-dichlorobenzenesulfonate IUPAC Name: calcium 2-amino-4,5-dichlorobenzenesulfonate Traditional Name: calcium 2-amino-4,5-dichloro-besylate Formula: C12H8CaCl4N2O6S2 MolecularWeight: 522.22172

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)[O-])N.C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)[O-])N.[Ca+2]

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)[O-])N.C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)[O-])N.[Ca+2]

InChI

InChI=1S/2C6H5Cl2NO3S.Ca/c2*7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h2*1-2H,9H2,(H,10,11,12);/q;;+2/p-2