18373 <common-name>Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate</common-name> <description nil="true"/> <cas>3965-55-7</cas> <pubchem-id>23675796</pubchem-id> <chemical-formula>C10H9NaO7S</chemical-formula> <weight>296.23</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">2016-05-22T04:07:29Z</created-at> <updated-at type="dateTime">2026-04-17T17:02:35Z</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>[Na+].COC(=O)C1=CC(=CC(=C1)C(=O)OC)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C10H9NaO7S</moldb-formula> <moldb-inchi>InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1</moldb-inchi> <moldb-inchikey>LLHSEQCZSNZLRI-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">296.22</moldb-average-mass> <moldb-mono-mass type="decimal">295.99666808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM017268</chemdb-id> <dsstox-id>DTXSID6027551</dsstox-id> <toxcast-id>27551</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00100081</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>109.80000000000001</moldb-polar-surface-area> <moldb-refractivity>59.609400000000015</moldb-refractivity> <moldb-polarizability>24.75793450238429</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>-2.6188184095665035</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.598526146470728</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.16</moldb-alogps-logp> <moldb-alogps-logs>-2.81</moldb-alogps-logs> <moldb-alogps-solubility>4.59e-01 g/l</moldb-alogps-solubility> </compound>