85711 <common-name>Barium(2+) hydrogen 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate</common-name> <description nil="true"/> <cas>1325-16-2</cas> <pubchem-id>15785</pubchem-id> <chemical-formula>C17H12N2O9S2</chemical-formula> <weight>723.0</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T20:47:23Z</created-at> <updated-at type="dateTime">2026-04-16T22:45:16Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Ba++].[Ba++].[O-]C(=O)C1=C(C=CC=C1)N=NC1=C2C=CC(=CC2=CC(=C1[O-])S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C17H12N2O9S2</moldb-formula> <moldb-inchi>InChI=1/C17H12N2O9S2.Ba.H2/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);;1H/q;+2;+1/p-3</moldb-inchi> <moldb-inchikey>RFDAZYMKYSTWBI-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">723.03</moldb-average-mass> <moldb-mono-mass type="decimal">451.998422</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM081604</chemdb-id> <dsstox-id>DTXSID90889447</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00045886</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>