81254 <common-name>Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate</common-name> <description nil="true"/> <cas>94277-86-8</cas> <pubchem-id>3024228</pubchem-id> <chemical-formula>C42H28N6O14S3</chemical-formula> <weight nil="true"/> <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">2026-04-04T17:37:35Z</created-at> <updated-at type="dateTime">2026-04-04T17:37:35Z</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>CCCCCOC(=O)C1=CC(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])=C1</moldb-smiles> <moldb-formula>C42H28N6O14S3</moldb-formula> <moldb-inchi>InChI=1S/C42H28N6O14S3/c1-2-3-4-20-59-42(52)23-21-33(60-63(53,54)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)41(62-65(57,58)37-13-7-10-29-26(37)16-19-32(48-45)40(29)51)34(22-23)61-64(55,56)36-12-6-9-28-25(36)15-18-31(47-44)39(28)50/h5-19,21-22H,2-4,20H2,1H3</moldb-inchi> <moldb-inchikey>NSQSUVGLFLIZAQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">936.89</moldb-average-mass> <moldb-mono-mass type="decimal">936.082562</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2290206</chemspider-id> <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>CHEM077147</chemdb-id> <dsstox-id>DTXSID40241379</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040364</susdat-id> <iupac>5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-pentoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate</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"/> </compound>