68491 <common-name>Benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, (R)-</common-name> <description>Benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, (R)- belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H9N1O6S1 and an average molecular weight of 259.23 g/mol.</description> <cas>115314-17-5</cas> <pubchem-id>146513</pubchem-id> <chemical-formula>C9H9N1O6S1</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">2026-04-03T12:35:04Z</created-at> <updated-at type="dateTime">2026-04-03T12:35:04Z</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>[O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)OC[C@H]1CO1</moldb-smiles> <moldb-formula>C9H9N1O6S1</moldb-formula> <moldb-inchi>InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m1/s1</moldb-inchi> <moldb-inchikey>AIHIHVZYAAMDPM-MRVPVSSYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">259.23</moldb-average-mass> <moldb-mono-mass type="decimal">259.015058</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>129210</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>CHEM064384</chemdb-id> <dsstox-id>DTXSID60151047</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023733</susdat-id> <iupac>[(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate</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>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0136965</sync-id> <structure-inchikey>AIHIHVZYAAMDPM-MRVPVSSYSA-N</structure-inchikey> <structure-fingerprint>801000000000000000000000002000000000000000000000000000000001000000020000000000000000000000000000000002000000000000000000000100000000000000000020800000000100005000000000400000000000200000000200000000100000000000020000000000000000000000100001000000000000800000000000800000000000001000000000000000000020000000000000000001000008080100000000000000000000080000000000100000000000000000000020000000000000000000000000000000000200000000000000400000000000400040000000000010000800001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� *���ÿ��� *��������(������@(������@h�������@(������@h�������@h�������@h�������� ������(�������(������� ������`������ 4��������`������� ������� ��(��� ��h���h���h���h���h�� � �� ��� ��� � ����������h����B�������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:22Z</structure-indexed-at> </compound>