360038 <common-name>[4-(6,8-disulfobenzo[e]benzotriazol-2-yl)phenyl]-[4-[(e)-2-[4-[[4-[(e)-2-[4-[[[4-(6,8-disulfobenzo[e]benzotriazol-2-yl)phenyl]-oxidoazaniumylidene]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]imino-oxidoazaniumyl]-3-sulfophenyl]ethenyl]-2-sulfophenyl]imino-oxidoazanium</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>165360823</pubchem-id> <chemical-formula>C60H40N12O27S8</chemical-formula> <weight>1617.6</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">2026-09-01T08:21:18Z</created-at> <updated-at type="dateTime">2026-09-01T08:21:18Z</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(=CC=C1N2N=C3C=CC4=C(C3=N2)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)[N+](=NC5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=[N+](C7=C(C=C(C=C7)C=CC8=CC(=C(C=C8)N=[N+](C9=CC=C(C=C9)N1N=C2C=CC3=C(C2=N1)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-]</moldb-smiles> <moldb-formula>C60H40N12O27S8</moldb-formula> <moldb-inchi>InChI=1S/C60H40N12O27S8/c73-70(41-15-11-39(12-16-41)68-63-50-22-19-45-47(59(50)66-68)29-43(100(76,77)78)31-55(45)104(88,89)90)61-37-9-7-35(53(27-37)102(82,83)84)5-6-36-8-10-38(28-54(36)103(85,86)87)62-72(75)52-24-4-34(26-58(52)107(97,98)99)2-1-33-3-21-49(57(25-33)106(94,95)96)65-71(74)42-17-13-40(14-18-42)69-64-51-23-20-46-48(60(51)67-69)30-44(101(79,80)81)32-56(46)105(91,92)93/h1-32H,(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)/b2-1+,6-5+,70-61?,71-65?,72-62?</moldb-inchi> <moldb-inchikey>LMVRWPNFKURDDK-OZHQEUNKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1615.989153</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM355931</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-(6,8-disulfobenzo[e]benzotriazol-2-yl)phenyl]-[4-[(e)-2-[4-[[4-[(e)-2-[4-[[[4-(6,8-disulfobenzo[e]benzotriazol-2-yl)phenyl]-oxidoazaniumylidene]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]imino-oxidoazaniumyl]-3-sulfophenyl]ethenyl]-2-sulfophenyl]imino-oxidoazanium</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> </compound>