352618 <common-name>3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid</common-name> <description>3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid has the chemical formula C33H22ClN9O12S4. With an average molecular weight of 900.30 g/mol, 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>172354</pubchem-id> <chemical-formula>C33H22ClN9O12S4</chemical-formula> <weight>900.3</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">2026-08-31T19:04:11Z</created-at> <updated-at type="dateTime">2026-08-31T19:04:11Z</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=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC7=C(C=CC=C7S(=O)(=O)O)C(=C6)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C33H22ClN9O12S4</moldb-formula> <moldb-inchi>InChI=1S/C33H22ClN9O12S4/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)43-42-23-9-10-25(21-15-17(56(44,45)46)7-8-18(21)23)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39)</moldb-inchi> <moldb-inchikey>IFDVHTKSEFZVJL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">898.9959296</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM348511</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>3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonaphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-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>1,1'-azonaphthalenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0302903</sync-id> <structure-inchikey>IFDVHTKSEFZVJL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000010000000100100000000200000000000020001000000000000000001000000000000100000002000000200080014000000010000000008010000000000000001040000000800000002000002000000000000000100400000000800000000001000000080000000010000000000000300000000000000080000000000100000000000080000000000000008000100000000000008000800000000000040000000000400004000008000000000000000000c000088001100000008800000000040200000000000000000002000290000000000004000200000000200000000000000003800040000000020000000000000000008000020000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������;���A���€��@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���h���h�� h� !h�!"h� # #$(�$% %&h�&'h�'(h�()h�)*h�*+h�+,h�,-�-.��-/��-0�(1h�12h�13�34��35��36��7�78��79��7:� �h���h���h�"�h���h�2%h�,'h�B������ ��������������������������!"��� �&'(12%�)*+,'(����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:50:20Z</structure-indexed-at> </compound>