311416 <common-name>6-amino-4-hydroxy-5-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid</common-name> <description>6-amino-4-hydroxy-5-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C18H17N3O13S4. With an average molecular weight of 611.60 g/mol, 6-amino-4-hydroxy-5-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas>42986-19-6</cas> <pubchem-id>163474</pubchem-id> <chemical-formula>C18H17N3O13S4</chemical-formula> <weight>611.6</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">2026-08-29T07:38:09Z</created-at> <updated-at type="dateTime">2026-08-29T07:38:09Z</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>C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N</moldb-smiles> <moldb-formula>C18H17N3O13S4</moldb-formula> <moldb-inchi>InChI=1S/C18H17N3O13S4/c19-13-3-1-10-7-12(36(25,26)27)8-15(22)17(10)18(13)21-20-14-4-2-11(9-16(14)37(28,29)30)35(23,24)6-5-34-38(31,32)33/h1-4,7-9,22H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)</moldb-inchi> <moldb-inchikey>PLCDVZQLPMRBFS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">610.9644223</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.4</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>CHEM307309</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>6-amino-4-hydroxy-5-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic 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>CED0262370</sync-id> <structure-inchikey>PLCDVZQLPMRBFS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>42000010002000100801000000006000000000000000081100000000000000000200000000005000000020000000000800002000000000000000040000800000000000000000000008000002020000020000000000100001004000000000000000000010000000800000000100000000200001000000000002000000000000000400000000000008000000000000400001200000000000000000000000020000000000000000000000000080000000000000000004000088003000000008000000000000000012100000000000000400000000000000000000200000000000000000000000001000040000000000000000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKAAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEEAAgAAAABggAKAAAAAMCCAAoAAAA AwIIAGAAAAABAQgAaAAAAAMBAQcAKAAAAAMDBwAoAAAAAwMGQCgAAAADBAZA KAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEQACAA AAAGCAAoAAAAAwIIACgAAAADAgYAYAAAAAICBgBgAAAAAgIIACAAAAACEAAg AAAABggAKAAAAAMCCAAoAAAAAwIIAGAAAAABARAAIAAAAAYIACgAAAADAggA KAAAAAMCCABgAAAAAQEHAGgAAAADAQILAAFoDAECaAwCA2gMAwRoDAQFaAwF BmgMBgdoDAcIaAwICWgMBwoACgsIAgoMCAIKDQAFDiADDyAPECgCEBEgERJo DBITaAwTFGgMFBVoDBUWaAwUFwAXGAgCFxkIAhcaABobABscABwdAB0eCAId HwgCHSAAEiEAISIIAiEjCAIhJAACJSAJAGgMCQRoDBYRaAxCAwAAAAYACQQD AgEGBQYHCAkEBhITFBUWERcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:37Z</structure-indexed-at> </compound>