barium(2+); (5E)-5-[(2-chlorophenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: barium(2+); (5E)-5-[(2-chlorophenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: barium(2+); (5E)-5-[(2-chlorophenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: barium(2+); (5E)-5-[(2-chlorophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: barium(2+); (5E)-5-[(2-chlorophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: barium(2+); (5E)-5-[(2-chlorophenyl)hydrazono]-6-keto-naphthalene-2-sulfonate Formula: C32H20BaCl2N4O8S2 MolecularWeight: 860.8862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])Cl.C1=CC=C(C(=C1)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])Cl.[Ba+2]

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C\2/C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])Cl.C1=CC=C(C(=C1)N/N=C\2/C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])Cl.[Ba+2]

InChI

InChI=1S/2C16H11ClN2O4S.Ba/c2*17-13-3-1-2-4-14(13)18-19-16-12-7-6-11(24(21,22)23)9-10(12)5-8-15(16)20;/h2*1-9,18H,(H,21,22,23);/q;;+2/p-2/b2*19-16+;