345849 <common-name>2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid</common-name> <description>2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid is a chemical compound with the formula C27H20Cl2N8O9S3. With an average molecular weight of 767.60 g/mol, 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>163276</pubchem-id> <chemical-formula>C27H20Cl2N8O9S3</chemical-formula> <weight>767.6</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">2026-08-31T08:51:47Z</created-at> <updated-at type="dateTime">2026-08-31T08:51:47Z</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=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O</moldb-smiles> <moldb-formula>C27H20Cl2N8O9S3</moldb-formula> <moldb-inchi>InChI=1S/C27H20Cl2N8O9S3/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33)</moldb-inchi> <moldb-inchikey>YYMOTGDYOPIKIR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">765.9892432</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM341742</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>2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-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>CED0296203</sync-id> <structure-inchikey>YYMOTGDYOPIKIR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>402000000100000000001000000002000000000000200010000000000000000010000000000001000080020000002000800000000000000000000000100000000000000010400000008000000020008020000000000000001004000000000000000000010000000800000000100000000000003000000000000000800000000001000048000000800000000000000080000000000000000080000000000000000400000000004000040008080101000000000200000000088001000000008000000000040200000000000000000000000010000000002000000200000000000000000000000001800040000000020000000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������1���5���€���`������@(������@h�������@(������@(������@h�������@(�������(�������(������@(������@(������@h�������@h�������@(������@h�������� ������(�������(�������`������� ������(�������(�������`�������`�������(�������(������@(������@(������@h�������@h�������@h�������@(������@(������@(������@h�������@h��������h�������@(������@(������@(������@(������@(������@(������� ������ ������ ������(�������(�������`�����������h���h���h���h���h��� ��(�� h� �h���h�� h� �h� ������������� ������������������ ��(��� ��h���h���h���h���h�� h� !h�!"h�"#h�!$ $% %&h�&'h�'(h�()h�)*h�)+�',��-�-.��-/��-0���h�� h�#�h� �h�*%h�B������������ �� � ����� ��"#�� !�&'()*%����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:46Z</structure-indexed-at> </compound>