86314 <common-name>Tetrasodium 3,3'-[carbonylbis[imino(2,5-dimethyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate</common-name> <description>Tetrasodium 3,3'-[carbonylbis[imino(2,5-dimethyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is categorized under the superclass of benzenoids and has the formula C37H32N6O13S4. With an average molecular weight of 984.86 g/mol, Tetrasodium 3,3'-[carbonylbis[imino(2,5-dimethyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate is a heavy molecule.</description> <cas>6420-29-7</cas> <pubchem-id>165475</pubchem-id> <chemical-formula>C37H32N6O13S4</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">2026-04-04T21:26:18Z</created-at> <updated-at type="dateTime">2026-04-04T21:26:18Z</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+].[Na+].[Na+].CC1=CC(NC(=O)NC2=C(C)C=C(N=NC3=CC(=C4C=CC=C(C4=C3)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C2)=C(C)C=C1N=NC1=CC(=C2C=CC=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C37H32N6O13S4</moldb-formula> <moldb-inchi>InChI=1/C37H32N6O13S4.4Na/c1-19-13-31(42-40-23-15-27-25(35(17-23)59(51,52)53)7-5-9-33(27)57(45,46)47)21(3)11-29(19)38-37(44)39-30-12-22(4)32(14-20(30)2)43-41-24-16-28-26(36(18-24)60(54,55)56)8-6-10-34(28)58(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4</moldb-inchi> <moldb-inchikey>QXBDBNJRAAKDCK-UHFFFAOYSA-J</moldb-inchikey> <moldb-average-mass type="decimal">984.86</moldb-average-mass> <moldb-mono-mass type="decimal">896.0910191</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>CHEM082207</chemdb-id> <dsstox-id>DTXSID20889536</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046620</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>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0091202</sync-id> <structure-inchikey>QXBDBNJRAAKDCK-UHFFFAOYSA-J</structure-inchikey> <structure-fingerprint>402000000000800001000000000002000800000000000000000000000000000000000000000000000000020000000000800000000000100000000000000000000000000000000400000000000000000020000000000000001004000000000000000000010000100000000000100000000000001000000000000000800000000001000040000000800000000000000080000000000000040080000000000000000000040000000000040008080100000000000220000000080001100000000800000000040000000000000040000000000080000000002000000200000000000000008000000002000040000000004400000000000000000400020008000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABAAAAAQQAAAIABCyAKAAAAAQELIAoAAAAB AQsgCgAAAAEBCyAKAAAAAQEGAGAAAAABAwZAKAAAAAMEBkBoAAAAAwMBBkAo AAAAAwQHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBwBoAAAAAwIBBkAoAAAA AwQGQCgAAAADBAYAYAAAAAEDBkBoAAAAAwMBBkAoAAAAAwQHACgAAAADAwcA KAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMD ARAAIAAAAAYIICIAAAD/AQgAKAAAAAMCCAAoAAAAAwIQACAAAAAGCCAiAAAA /wEIACgAAAADAggAKAAAAAMCBkAoAAAAAwQGAGAAAAABAwZAaAAAAAMDAQZA KAAAAAMEBgBgAAAAAQMGQGgAAAADAwEGQCgAAAADBAcAKAAAAAMDBwAoAAAA AwMGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBEAAg AAAABgggIgAAAP8BCAAoAAAAAwIIACgAAAADAhAAIAAAAAYIICIAAAD/AQgA KAAAAAMCCAAoAAAAAwILBAUABQZoDAYHaAwHCCAICSAJCigCCQsgCwwgDA1o DA0OAA0PaAwPEGgMEBEgERIoAhITIBMUaAwUFWgMFRZoDBYXaAwXGGgMGBlo DBkaaAwaG2gMGxxoDBodAB0eAB0fCAIdIAgCFSEAISIAISMIAiEkCAIQJWgM JSYAJSdoDAcoaAwoKQAoKmgMKitoDCssICwtKAItLiAuL2gMLzBoDDAxaAwx MmgMMjNoDDM0aAw0NWgMNTZoDDY3aAw1OAA4OQA4OggCODsIAjA8ADw9ADw+ CAI8PwgCKwVoDDcuaAwnDGgMNjFoDBwTaAwbFmgMQgYAAAAGBSsqKAcGBg0P ECUnDAYUFRYbHBMGFxgZGhsWBi8wMTY3LgYyMzQ1NjEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:48Z</structure-indexed-at> </compound>