barium(2+); 4-chloranyl-3-nitro-benzenesulfinate

Systemtic Name: barium(2+); 4-chloranyl-3-nitro-benzenesulfinate Openeye Name: barium(2+); 4-chloro-3-nitro-benzenesulfinate CAS Name: barium(2+); 4-chloro-3-nitrobenzenesulfinate IUPAC Name: barium(2+); 4-chloro-3-nitrobenzenesulfinate Traditional Name: barium(2+); 4-chloro-3-nitro-benzenesulfinate Formula: C12H6BaCl2N2O8S2 MolecularWeight: 578.54764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H4ClNO4S.Ba/c2*7-5-2-1-4(13(11)12)3-6(5)8(9)10;/h2*1-3H,(H,11,12);/q;;+2/p-2