84535 <common-name>Disodium 3,3'-[sulphonylbis[(2-nitro-p-phenylene)imino]]bis[6-anilinobenzenesulphonate]</common-name> <description>Disodium 3,3'-[sulphonylbis[(2-nitro-p-phenylene)imino]]bis[6-anilinobenzenesulphonate] belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C36H30N6O12S3. With an average molecular weight of 876.79 g/mol, Disodium 3,3'-[sulphonylbis[(2-nitro-p-phenylene)imino]]bis[6-anilinobenzenesulphonate] is a heavy molecule.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C36H30N6O12S3</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">2026-04-04T20:00:24Z</created-at> <updated-at type="dateTime">2026-04-04T20:00:24Z</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>[Na+].[Na+].[O-][N+](=O)C1=CC(=CC=C1NC1=CC(=C(NC2=CC=CC=C2)C=C1)S([O-])(=O)=O)S(=O)(=O)C1=CC=C(NC2=CC(=C(NC3=CC=CC=C3)C=C2)S([O-])(=O)=O)C(=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C36H30N6O12S3</moldb-formula> <moldb-inchi>InChI=1/C36H28N6O12S3.2Na/c43-41(44)31-19-25(37-27-11-15-29(35(21-27)56(49,50)51)39-23-7-3-1-4-8-23)13-17-33(31)55(47,48)34-18-14-26(20-32(34)42(45)46)38-28-12-16-30(36(22-28)57(52,53)54)40-24-9-5-2-6-10-24;;/h1-22,37-40H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2</moldb-inchi> <moldb-inchikey>KRRVWZQUVRXQKT-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">876.79</moldb-average-mass> <moldb-mono-mass type="decimal">834.1083834</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>CHEM080428</chemdb-id> <dsstox-id>DTXSID10873924</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00044491</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"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0097392</sync-id> <structure-inchikey>UFCUKOZJEBIMQY-UHFFFAOYSA-L</structure-inchikey> 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