320539 <common-name>5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid</common-name> <description>5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid has the chemical formula C20H14ClN7O11S2. With an average molecular weight of 628.00 g/mol, 5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>135850435</pubchem-id> <chemical-formula>C20H14ClN7O11S2</chemical-formula> <weight>628</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">2026-08-29T19:29:49Z</created-at> <updated-at type="dateTime">2026-08-29T19:29:49Z</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>COC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)[N+](=O)[O-])O)S(=O)(=O)O)Cl</moldb-smiles> <moldb-formula>C20H14ClN7O11S2</moldb-formula> <moldb-inchi>InChI=1S/C20H14ClN7O11S2/c1-39-20-24-18(21)23-19(25-20)22-12-7-10(40(33,34)35)4-8-5-14(41(36,37)38)16(17(30)15(8)12)27-26-11-6-9(28(31)32)2-3-13(11)29/h2-7,29-30H,1H3,(H,33,34,35)(H,36,37,38)(H,22,23,24,25)</moldb-inchi> <moldb-inchikey>PKXDKGFTSJAWST-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">626.9881243</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM316432</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>5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-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>CED0271280</sync-id> <structure-inchikey>PKXDKGFTSJAWST-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000100000000000000000000010000000000000080200000000000000200200000000001000000024000002000800000000000000000000000100100000000000010400000008000002020000020000000000100001004000000400000000000010000000a40000000100000400000003000000400000000000000008000000040000000000000000000000080000000021000000080000000008020000000000000004800000000080000000100000000000000188001000000000080040000000200002100000008000004400010000000008000000200000000000000420000000001000040000000020000000800001000008000000800000000</structure-fingerprint> 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�h���h�� h� �h� ���������������h���h���h���h��� �� ��(��� ��h���h���h���h���h�� !(� " �# �$�$%��$&��$'��(���h�� h�� h���h�B������������� � ������ ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:40Z</structure-indexed-at> </compound>