354911 <common-name>5-[[4-[[6-[[2-[(2-carboxyphenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid</common-name> <description>5-[[4-[[6-[[2-[(2-carboxyphenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid has the chemical formula C39H29N7O15S2. With an average molecular weight of 899.80 g/mol, 5-[[4-[[6-[[2-[(2-carboxyphenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>166103</pubchem-id> <chemical-formula>C39H29N7O15S2</chemical-formula> <weight>899.8</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">2026-08-31T22:59:13Z</created-at> <updated-at type="dateTime">2026-08-31T22:59:13Z</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>CC(=O)C(C(=O)NC1=CC2=C(C=C(C(=C2C=C1)N=NC3=C(C=C(C4=C3C=CC(=C4)S(=O)(=O)O)N=NC5=CC(=C(C=C5)O)C(=O)O)OC)O)S(=O)(=O)O)N=NC6=CC=CC=C6C(=O)O</moldb-smiles> <moldb-formula>C39H29N7O15S2</moldb-formula> <moldb-inchi>InChI=1S/C39H29N7O15S2/c1-18(47)34(44-42-28-6-4-3-5-24(28)38(51)52)37(50)40-19-7-10-23-26(13-19)33(63(58,59)60)17-31(49)35(23)45-46-36-22-11-9-21(62(55,56)57)15-25(22)29(16-32(36)61-2)43-41-20-8-12-30(48)27(14-20)39(53)54/h3-17,34,48-49H,1-2H3,(H,40,50)(H,51,52)(H,53,54)(H,55,56,57)(H,58,59,60)</moldb-inchi> <moldb-inchikey>KUMWMVNJLFHISJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">899.1163056</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM350804</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-[[6-[[2-[(2-carboxyphenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic 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>CED0305189</sync-id> <structure-inchikey>KUMWMVNJLFHISJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40002000000000040001000000000001024000000000008100200010000000400000000000000001000000020000000024801000000000000080000080000000000000008000000400008000002020000020000020000100001004000000008000000000010000000850000000100000000000201000000000000000000000400000010040000000800000000000000080000000000100100000000000000000000000002000002000040000280000000800000001000000188001010000018080000000000080402100000100000000c00080000200000004000200000000200000008000000002000040800000000400400000000020000110000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������?���D���€���`�������(�������(�������`�������(�������(�������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�01��02��03��4�45(�56 67h�78h�89h�9:h�:;h�;< <=(�<> ��h�� h���h���h�(#h�;6h�B������ ����� �� � ���������������$%&'(#�789:;6����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:52:53Z</structure-indexed-at> </compound>