337761 <common-name>[2-(1-sulfooxybenzo[e][1]benzothiol-2-yl)benzo[e][1]benzothiol-1-yl] hydrogen sulfate</common-name> <description>[2-(1-sulfooxybenzo[e][1]benzothiol-2-yl)benzo[e][1]benzothiol-1-yl] hydrogen sulfate is a chemical compound with the formula C24H14O8S4. With an average molecular weight of 558.60 g/mol, [2-(1-sulfooxybenzo[e][1]benzothiol-2-yl)benzo[e][1]benzothiol-1-yl] hydrogen sulfate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>197814</pubchem-id> <chemical-formula>C24H14O8S4</chemical-formula> <weight>558.6</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">2026-08-30T20:43:15Z</created-at> <updated-at type="dateTime">2026-08-30T20:43:15Z</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=CC=C2C(=C1)C=CC3=C2C(=C(S3)C4=C(C5=C(S4)C=CC6=CC=CC=C65)OS(=O)(=O)O)OS(=O)(=O)O</moldb-smiles> <moldb-formula>C24H14O8S4</moldb-formula> <moldb-inchi>InChI=1S/C24H14O8S4/c25-35(26,27)31-21-19-15-7-3-1-5-13(15)9-11-17(19)33-23(21)24-22(32-36(28,29)30)20-16-8-4-2-6-14(16)10-12-18(20)34-24/h1-12H,(H,25,26,27)(H,28,29,30)</moldb-inchi> <moldb-inchikey>JMLVNAHSFFEMJE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">557.9571521</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM333654</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-(1-sulfooxybenzo[e][1]benzothiol-2-yl)benzo[e][1]benzothiol-1-yl] hydrogen sulfate</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>Naphthothiophenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0288190</sync-id> <structure-inchikey>JMLVNAHSFFEMJE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000100000000000000000000000000000000400020000000000000000000000000000000000080000000000000000000000008000000000000020000010020100000000000000000008000000010000000004000000000400000000000000000001000000000000000000400000000001900080000000000000000004000100000000000000000000000000000002000000040000880000000000000000000000080000000000000000000000048000000000000000000000000000000000000000000200000000000000000000000001000040010000000000000000000000008000000000000000</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�B��������������� ��� ����� ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:45Z</structure-indexed-at> </compound>