<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123876</id>
  <title nil="true"/>
  <common-name>Ammonium bis(N-ethyl-2-perfluorooctylsulfonaminoethyl)phosphate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C24H22F34N3O8PS2</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">2026-04-06T07:16:06Z</created-at>
  <updated-at type="dateTime">2026-05-21T07:34:40Z</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>[H][N+]([H])([H])[H].CCN(CCOP([O-])(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C24H22F34N3O8PS2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H19F34N2O8PS2.H3N/c1-3-59(70(63,64)23(55,56)19(45,46)15(37,38)11(29,30)9(25,26)13(33,34)17(41,42)21(49,50)51)5-7-67-69(61,62)68-8-6-60(4-2)71(65,66)24(57,58)20(47,48)16(39,40)12(31,32)10(27,28)14(35,36)18(43,44)22(52,53)54;/h3-8H2,1-2H3,(H,61,62);1H3</moldb-inchi>
  <moldb-inchikey>QHCFFPIOMPVULC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1221.49</moldb-average-mass>
  <moldb-mono-mass type="decimal">1221.004303</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>CHEM119769</chemdb-id>
  <dsstox-id>DTXSID90880252</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00111956</susdat-id>
  <iupac>Ammonium bis{2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)amino]ethyl} phosphate</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>Organohalogen compounds</superklass>
  <klass>Alkyl halides</klass>
  <subklass>Alkyl fluorides</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0069692</sync-id>
  <structure-inchikey>QHCFFPIOMPVULC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000010000100000800000002000000000000000000080000000000000000000000002100000000000020000000000000000000000000000000002000000000000100000100400000000000000000020400000000100001000000000040000000000040000000000000000004200000008000800000000080000000000000000000040000000400000000000000000400000000200000000000000000000000000000000800000000000000002000010000000040000080000010000000000000000000000000000000000000000000000000000080000000000000000000000000000000100000000000000000000800001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>730cc5e08737e33dffee1fe583bae2bbd83034b6b1bfa870b53a82f6cb34ea6ef4c3415093830c6ccf1e5f280dcd2921b7e40fc6668e7a7751fcfdb9f3e3e206ef11d6c15bac17a593b093ca1af76a126ec4ccc077711fbfd13e47624573cff7cff077ff4d7e1678608c60cedffcc34d7cc492da313ff5aebb7b75d367f09bc7dacf99085ff4ba6a3cb70a7448bc36ef7bdd7b32cd439f3a76824fed62524fc54bdf13b73bf2c6b91984ce64f37ef5f65fd90d4a8b4f2ad878908af4cce31e5fbf3f10b59d9ff32a7ee5bdfa7f1f57bba821b97463317473cffa7e2f6e49120cbbbcfd3c98abbf6df37c29519a7ee1be42dd1fb5d1e606af7319fedada7ea20a</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������H���F���€�� 2��������`�������`������� ������`�������`������� ������ ����� "���ÿ���(������� ������`�������`������� ������`�������`������� ������(�������(������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ����	� ������ ������(�������(������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ����	� ���������������������������	���
�
�������������������������������������������������������������� ��!��"�"#�"$�"%�%&amp;�%'�%(�()�(*�(+��,�,-��,.��,/�/0�/1�/2�23�24�25�56�57�58�89�8:�8;�;&lt;�;=�;&gt;�&gt;?�&gt;@�&gt;A�AB�AC�AD�DE�DF�DG�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:46:56Z</structure-indexed-at>
</compound>
