312643 <common-name>1-nitro-3-[6-(3-nitrophenoxy)hexoxy]benzene</common-name> <description>1-nitro-3-[6-(3-nitrophenoxy)hexoxy]benzene is a chemical compound with the formula C18H20N2O6. It has an average molecular weight of 360.40 g/mol.</description> <cas>5226-69-7</cas> <pubchem-id>4154718</pubchem-id> <chemical-formula>C18H20N2O6</chemical-formula> <weight>360.4</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">2026-08-29T09:13:24Z</created-at> <updated-at type="dateTime">2026-08-29T09:13:24Z</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>C1=CC(=CC(=C1)OCCCCCCOC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]</moldb-smiles> <moldb-formula>C18H20N2O6</moldb-formula> <moldb-inchi>InChI=1S/C18H20N2O6/c21-19(22)15-7-5-9-17(13-15)25-11-3-1-2-4-12-26-18-10-6-8-16(14-18)20(23)24/h5-10,13-14H,1-4,11-12H2</moldb-inchi> <moldb-inchikey>KFTGSVDTJQVUSL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">360.1321364</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</logp> <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>CHEM308536</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-nitro-3-[6-(3-nitrophenoxy)hexoxy]benzene</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>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263572</sync-id> <structure-inchikey>KFTGSVDTJQVUSL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000200000000000000000000020000000000100001000000000400000000000000000000200000000100000000000000000000000000000000000000021000000000000800000000000010000000000001000000000000040000020000000000000000000004000080000000000000000080000000000040000000000000000000000000020000000000000000000000000000000000200000000000000400000000000000040000000010000000800001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>503000000932024081000900012820000000040000052000003120700200088c40020010008000000000410800800000046000a4408c30010020643000a04000c6110c00028806400090100000720200000405805001103240000422000241400c200526004082090000040045340003a00280500101e0047118000002510002104000080ee0800808020240082c0008111c8812440014020000880000400080004330001010c00000001840017c25100ac00000894108401000020008c002100000008404402022018100000401038004000000020050000d0080000800030000004810008000000000000240122000001000308042000e0008000050000400</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@(������@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">2026-09-19T05:19:34Z</structure-indexed-at> </compound>