338646 <common-name>7-[[4-[[2-methyl-4-(sulfomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid</common-name> <description>7-[[4-[[2-methyl-4-(sulfomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid has the chemical formula C24H21N5O9S3. With an average molecular weight of 619.70 g/mol, 7-[[4-[[2-methyl-4-(sulfomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>106538</pubchem-id> <chemical-formula>C24H21N5O9S3</chemical-formula> <weight>619.7</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">2026-08-30T21:46:56Z</created-at> <updated-at type="dateTime">2026-08-30T21:46:56Z</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>CC1=C(C=CC(=C1)NCS(=O)(=O)O)N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C24H21N5O9S3</moldb-formula> <moldb-inchi>InChI=1S/C24H21N5O9S3/c1-15-10-19(25-14-39(30,31)32)8-9-23(15)29-27-18-6-4-17(5-7-18)26-28-20-3-2-16-11-21(40(33,34)35)13-24(22(16)12-20)41(36,37)38/h2-13,25H,14H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)</moldb-inchi> <moldb-inchikey>RKFQJXXLTWNNGX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">619.0501408</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</logp> <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>CHEM334539</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>7-[[4-[[2-methyl-4-(sulfomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid</iupac> <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" nil="true"/> <sync-id>CED0289073</sync-id> <structure-inchikey>RKFQJXXLTWNNGX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000800000000002000000000000000180300000000000000000200000000005000000020000000000800000401040100000000000000000000000000000000000008000000020000020000020002000000004000000008000000000010000000810000000180000000000001000000000000000000000000000000040000000004000000000000080000000000004000000000000040000000400000000000000040008080100000080000000000000088001000000000000000000000100000000000000000000000080000000002000000200000000000000000000000003000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAApAAAALAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEH AGgAAAADAgEGAGAAAAACAhAAIAAAAAYIACgAAAADAggAKAAAAAMCCABgAAAA AQEHACgAAAADAwcAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQcAKAAAAAMDBwAoAAAAAwMGQCgA AAADBAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBEAAgAAAABggA KAAAAAMCCAAoAAAAAwIIAGAAAAABARAAIAAAAAYIACgAAAADAggAKAAAAAMC CABgAAAAAQELAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwFByAHCAAICQAJCggC CQsIAgkMAAINIA0OKAIODyAPEGgMEBFoDBESaAwSE2gMExRoDBIVIBUWKAIW FyAXGGgMGBloDBkaaAwaG2gMGxxoDBwdaAwdHmgMHh9oDB8gaAwcIQAhIggC ISMIAiEkABolACUmCAIlJwgCJSgABgFoDBQPaAwgF2gMHhloDEIEAAAABgEG BQQDAgYQERITFA8GGBkeHyAXBhobHB0eGRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:39:21Z</structure-indexed-at> </compound>