353606 <common-name>4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid</common-name> <description>4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid has the chemical formula C35H26N6O14S3. With an average molecular weight of 850.80 g/mol, 4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>103129</pubchem-id> <chemical-formula>C35H26N6O14S3</chemical-formula> <weight>850.8</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">2026-08-31T20:36:36Z</created-at> <updated-at type="dateTime">2026-08-31T20:36:36Z</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=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C35H26N6O14S3</moldb-formula> <moldb-inchi>InChI=1S/C35H26N6O14S3/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)</moldb-inchi> <moldb-inchikey>PDOPSGYNSLDYQR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">850.0669131</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM349499</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>4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic 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>CED0303888</sync-id> <structure-inchikey>PDOPSGYNSLDYQR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000800000000000200002000000000000008180200000000000000000000000000001000000020000000004800000000040000080000000000000000000000000000000008000002020000020000000000000001004000000000000000000010000000810000000100000000000001000000400000000000000000000000040000000000000000000200080000000000000000000000000000000000080000000000800040008084100000100000000000000088001400000008020040000000100002000000000000000400080004000002004000200000000000000008000000003000040000000000400000000000000000600000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������:���?���€���`������@(������@(������@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�-.h�,/ /0(�/1 2�23��24��25��6�67��68��69���h�� h���h�%�h�#�h�.)h�B����������������� ����������#$%��� !"#��*+,-.)����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:51:23Z</structure-indexed-at> </compound>