95928 <common-name>Magnesium bis(hydroxydimethylbenzenesulphonate)</common-name> <description>Magnesium bis(hydroxydimethylbenzenesulphonate) belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H10O4S and an average molecular weight of 426.74 g/mol.</description> <cas nil="true"/> <pubchem-id>20249627</pubchem-id> <chemical-formula>C8H10O4S</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">2026-04-05T03:50:15Z</created-at> <updated-at type="dateTime">2026-04-05T03:50:15Z</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>[Mg++].CC1=C(C)C(=CC=C1O)S(O)(=O)=O.CC1=C(C)C(=CC=C1[O-])S([O-])(=O)=O</moldb-smiles> <moldb-formula>C8H10O4S</moldb-formula> <moldb-inchi>InChI=1/2C8H10O4S.Mg/c2*1-5-3-4-7(13(10,11)12)8(9)6(5)2;/h2*3-4,9H,1-2H3,(H,10,11,12);/q;;+2/p-2</moldb-inchi> <moldb-inchikey>YRWYZWUHTIVGPD-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">426.74</moldb-average-mass> <moldb-mono-mass type="decimal">202.0299798</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>CHEM091821</chemdb-id> <dsstox-id>DTXSID501005226</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057957</susdat-id> <iupac nil="true"/> <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>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">30661</paper-count> <sync-id>CED0001853</sync-id> <structure-inchikey>XNBFYMSUVZEJAA-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>800000000000000000000000000080001800000000000000000020000000000800000000000000000000000000000010000000000000040008000000020008020000000000000001000000000000000000000010000100800000000000000000000000004000000200000000000000000000440000000000000000000000000000000000000000000000000000000000000040000000000000000080000200000000000000000180000000000001000000000000000002100000000000000000002000000202000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>711442008113824085000be0812820001000140081052010203520c08220485c44020010139000000100410800c00000042102a4408c32010026643900a04000c7110c00128026030090104012f202000804c58051211f3240040662500241040c380527004c820040000480dd9c004130c680520101c0061188244003510002104010084efc82080c060240082c0088191c08124c401682030008200042408044d1101010b0c00002000968017c25100ac0000289430840109042100cc00212a00000a50498023301800480141102810c010010030071000d000200280003009010c314188100000000000351922080001024308042040ed100100052000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� �������`������@(������@(�������`������@(������@h�������@h�������@(�������h�������� ������`�������(�������(�������`������@(������@(�������`������@(������@h�������@h�������@(������ *���ÿ���� ����� "���ÿ���(�������(�����������h������h���h���h���h�� � � �� ��� �������h������h���h���h���h��� ����������������h���h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:42Z</structure-indexed-at> </compound>