47534 <common-name>1,2,3,4,5,6-hexanitronaphthalene</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C10H2N6O12</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">2016-11-21T09:31:46Z</created-at> <updated-at type="dateTime">2016-11-21T09:31:46Z</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=C(C2=C(C(=C(C(=C2C=C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O</moldb-smiles> <moldb-formula>C10H2N6O12</moldb-formula> <moldb-inchi>InChI=1S/C10H2N6O12/c17-11(18)4-2-1-3-5(7(4)13(21)22)8(14(23)24)10(16(27)28)9(15(25)26)6(3)12(19)20/h1-2H</moldb-inchi> <moldb-inchikey>UQLAZFAWZKRRGO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">398.156</moldb-average-mass> <moldb-mono-mass type="decimal">397.973069528</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>CHEM046429</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>1,2,3,4,5,6-hexanitronaphthalene</iupac> </compound>