barium(2+); 2-[(2-oxidanidyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]benzoate

Systemtic Name: barium(2+); 2-[(2-oxidanidyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]benzoate Openeye Name: barium(2+); 2-[(2-oxido-3,6-disulfonato-1-naphthyl)azo]benzoate CAS Name: barium(2+); 2-[(2-oxido-3,6-disulfonato-1-naphthalenyl)azo]benzoate IUPAC Name: barium(2+); 2-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]benzoate Traditional Name: barium(2+); 2-[(2-oxido-3,6-disulfonato-1-naphthyl)azo]benzoate Formula: C17H8Ba2N2O9S2 MolecularWeight: 723.03742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].[Ba+2]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].[Ba+2]

InChI

InChI=1S/C17H12N2O9S2.2Ba/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;/q;2*+2/p-4