80938 <common-name>3,3'-(Carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulphonic) acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C31H30Cl2N6O9S2</chemical-formula> <weight nil="true"/> <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">2026-04-04T16:43:03Z</created-at> <updated-at type="dateTime">2026-04-04T16:43:03Z</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>CCOC1=C(NC(=O)NC2=C(OCC)C=C(N=NC3=CC(=C(Cl)C=C3)S(O)(=O)=O)C(C)=C2)C=C(C)C(=C1)N=NC1=CC(=C(Cl)C=C1)S(O)(=O)=O</moldb-smiles> <moldb-formula>C31H30Cl2N6O9S2</moldb-formula> <moldb-inchi>InChI=1S/C31H30Cl2N6O9S2/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46)/b38-36+,39-37+</moldb-inchi> <moldb-inchikey>MKKXLCRLLZFQSR-NFSGFYSESA-N</moldb-inchikey> <moldb-average-mass type="decimal">765.63</moldb-average-mass> <moldb-mono-mass type="decimal">764.089273</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21166669</chemspider-id> <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>CHEM076831</chemdb-id> <dsstox-id>DTXSID90240473</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040010</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>