barium(2+); 6,7-bis(chloranyl)-5,8-bis(oxidanylidene)naphthalene-2-sulfonate

Systemtic Name: barium(2+); 6,7-bis(chloranyl)-5,8-bis(oxidanylidene)naphthalene-2-sulfonate Openeye Name: barium(2+); 6,7-dichloro-5,8-dioxo-naphthalene-2-sulfonate CAS Name: barium(2+); 6,7-dichloro-5,8-dioxo-2-naphthalenesulfonate IUPAC Name: barium(2+); 6,7-dichloro-5,8-dioxonaphthalene-2-sulfonate Traditional Name: barium(2+); 6,7-dichloro-5,8-diketo-naphthalene-2-sulfonate Formula: C20H6BaCl4O10S2 MolecularWeight: 749.52464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C(C2=O)Cl)Cl.C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C(C2=O)Cl)Cl.[Ba+2]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C(C2=O)Cl)Cl.C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C(C2=O)Cl)Cl.[Ba+2]

InChI

InChI=1S/2C10H4Cl2O5S.Ba/c2*11-7-8(12)10(14)6-3-4(18(15,16)17)1-2-5(6)9(7)13;/h2*1-3H,(H,15,16,17);/q;;+2/p-2