98512 <common-name>Tetrasodium 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,3-disulphonate</common-name> <description>Tetrasodium 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,3-disulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is classified under the superclass of benzenoids and has the formula C35H28N6O15S4. With an average molecular weight of 988.80 g/mol, Tetrasodium 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,3-disulphonate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C35H28N6O15S4</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">2026-04-05T06:09:58Z</created-at> <updated-at type="dateTime">2026-04-05T06:09:58Z</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+].COC1=C(NC(=O)NC2=C(OC)C=C(C=C2)N=NC2=CC=C3C=C(C=C(C3=C2)S([O-])(=O)=O)S([O-])(=O)=O)C=CC(=C1)N=NC1=CC=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C35H28N6O15S4</moldb-formula> <moldb-inchi>InChI=1/C35H28N6O15S4.4Na/c1-55-31-15-23(40-38-21-5-3-19-11-25(57(43,44)45)17-33(27(19)13-21)59(49,50)51)7-9-29(31)36-35(42)37-30-10-8-24(16-32(30)56-2)41-39-22-6-4-20-12-26(58(46,47)48)18-34(28(20)14-22)60(52,53)54;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4</moldb-inchi> <moldb-inchikey>IYQIZSSDYZJUES-UHFFFAOYSA-J</moldb-inchikey> <moldb-average-mass type="decimal">988.8</moldb-average-mass> <moldb-mono-mass type="decimal">900.0495482</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>CHEM094405</chemdb-id> <dsstox-id>DTXSID80889956</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061075</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>CED0169939</sync-id> <structure-inchikey>IYQIZSSDYZJUES-UHFFFAOYSA-J</structure-inchikey> <structure-fingerprint>80000000000000000000080000000000008030000000000040000000000000000500000002000000000080000000000010000000000000000000000000000000040000000000000000002000002000010000100c000000000000000000010000100840000000102000000000001000000000000000000000100000000040000000000000000000010080000000000000040080000000000000000400040000000000040000080000000000000000000000080000000000000080000000000000000000000000000000000080000000000000000200000000000000008000000003800040000000000400000000000420000400000008000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABAAAAAQQAAAIABCyAKAAAAAQELIAoAAAAB AQsgCgAAAAEBCyAKAAAAAQEGAGAAAAABAwgAKAAAAAMCBkAoAAAAAwQGQCgA AAADBAcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGQCgAAAAD BAZAKAAAAAMECAAoAAAAAwIGAGAAAAABAwZAaAAAAAMDAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBwAoAAAAAwMHACgAAAADAwZAKAAAAAMEBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEQACAAAAAGCCAiAAAA/wEIACgA AAADAggAKAAAAAMCEAAgAAAABgggIgAAAP8BCAAoAAAAAwIIACgAAAADAgZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBwAoAAAAAwMHACgA AAADAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAAD AwEGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEQ ACAAAAAGCCAiAAAA/wEIACgAAAADAggAKAAAAAMCEAAgAAAABgggIgAAAP8B CAAoAAAAAwIIACgAAAADAgsEBQAFBiAGB2gMBwggCAkgCQooAgkLIAsMIAwN aAwNDiAODwANEGgMEBFoDBESaAwSE2gMERQgFBUoAhUWIBYXaAwXGGgMGBlo DBkaaAwaG2gMGxxoDBwdaAwdHmgMHh9oDB0gACAhACAiCAIgIwgCGyQAJCUA JCYIAiQnCAIHKGgMKCloDCkqaAwqK2gMKiwgLC0oAi0uIC4vaAwvMGgMMDFo DDEyaAwyM2gMMzRoDDQ1aAw1NmgMNjdoDDU4ADg5ADg6CAI4OwgCMzwAPD0A PD4IAjw/CAIrBmgMNy5oDBMMaAwfFmgMNjFoDB4ZaAxCBgAAAAYGKyopKAcG DRAREhMMBhcYGR4fFgYaGxwdHhkGLzAxNjcuBjIzNDU2MRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:14Z</structure-indexed-at> </compound>