Commit c6aecd0a authored by Emma Schymanski's avatar Emma Schymanski
Browse files

added 4:2 FT TPs

...and tweaked (E)/(Z) notation and harmonised FTUAL & FTUCA from "Unsaturated fluorotelomer" to "Fluorotelomer unsaturated"
parent 293948d9
......@@ -67,18 +67,27 @@ PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
10095866,8:2 FTAL,C(C=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,KDGIOTBLYAPNRR-UHFFFAOYSA-N,8:2 Fluorotelomer aldehyde,DTXSID10895489
10994425,8:2 FTCA,C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,XTBXSCIWOVSSGB-UHFFFAOYSA-N,8:2 Fluorotelomer carboxylic acid,DTXSID50451109
67821,PFNA,C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,Perfluorononanoic acid,DTXSID8031863
20111612,(Z)-8:2 FTUAL,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,LQERGGUGOIACQD-IWQZZHSRSA-N,(Z)-8:2 Unsaturated fluorotelomer aldehyde,DTXSID10895626
92017308,E-8:2 FTUAL,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,LQERGGUGOIACQD-HNQUOIGGSA-N,E-8:2 Unsaturated fluorotelomer aldehyde,DTXSID80794091
11733192,(Z)-8:2 FTUCA,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,WHZXTVOEGZRRJM-UPHRSURJSA-N,(Z)-8:2 Unsaturated fluorotelomer carboxylic acid,DTXSID001019143
11282540,E-8:2 FTUCA,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,WHZXTVOEGZRRJM-OWOJBTEDSA-N,E-8:2 Unsaturated fluorotelomer carboxylic acid,
162393340,GS-(Z)-8:2 FTUAL,FC(F)(C(=C\C=O)\SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OQCMXQJHGOIKKP-OQFOIZHKSA-N,(Z)-8:2 Unsaturated fluorotelomer aldehyde glutathione conjugate,
162393341,GS-(Z)-8:2 FTUCA,FC(F)(C(=C/C(=O)O)/SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,ZOYZDBBMBCZXPK-BAQGIRSFSA-N,(Z)-8:2 Unsaturated fluorotelomer carboxylic acid glutathione conjugate,
20111612,(Z)-8:2 FTUAL,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,LQERGGUGOIACQD-IWQZZHSRSA-N,(Z)-8:2 Fluorotelomer unsaturated aldehyde,DTXSID10895626
92017308,(E)-8:2 FTUAL,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,LQERGGUGOIACQD-HNQUOIGGSA-N,(E)-8:2 Fluorotelomer unsaturated aldehyde,DTXSID80794091
11733192,(Z)-8:2 FTUCA,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,WHZXTVOEGZRRJM-UPHRSURJSA-N,(Z)-8:2 Fluorotelomer unsaturated carboxylic acid,DTXSID001019143
11282540,(E)-8:2 FTUCA,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,WHZXTVOEGZRRJM-OWOJBTEDSA-N,(E)-8:2 Fluorotelomer unsaturated carboxylic acid,
162393340,GS-(Z)-8:2 FTUAL,FC(F)(C(=C\C=O)\SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OQCMXQJHGOIKKP-OQFOIZHKSA-N,(Z)-8:2 Fluorotelomer unsaturated aldehyde glutathione conjugate,
162393341,GS-(Z)-8:2 FTUCA,FC(F)(C(=C/C(=O)O)/SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,ZOYZDBBMBCZXPK-BAQGIRSFSA-N,(Z)-8:2 Fluorotelomer unsaturated carboxylic acid glutathione conjugate,
69537,6:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,GRJRKPMIRMSBNK-UHFFFAOYSA-N,6:2 Fluorotelomer alcohol,DTXSID5044572
91350838,6:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,BGJBRLCWYHDOSY-UHFFFAOYSA-N,6:2 Fluorotelomer alcohol sulfate,DTXSID301023145
NA,6:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,QGCRDEVAWUFVFN-UQGZVRACSA-N,6:2 Fluorotelomer alcohol glucoronide,
2776269,6:2 FTAL,C(C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,WJSFZGPTEQNWCB-UHFFFAOYSA-N,6:2 Fluorotelomer aldehyde,DTXSID20895379
11783764,6:2 FTCA,C(C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,LRWIIEJPCFNNCZ-UHFFFAOYSA-N,6:2 Fluorotelomer carboxylic acid,DTXSID50472556
146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,IRFCYNBOXLFPAS-IWQZZHSRSA-N,(Z)-6:2 Unsaturated fluorotelomer aldehyde,
NA,E-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,IRFCYNBOXLFPAS-HNQUOIGGSA-N,E-6:2 Unsaturated fluorotelomer aldehyde,
86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,BKOBFLVYTXYFQZ-UPHRSURJSA-N,(Z)-6:2 Unsaturated fluorotelomer carboxylic acid,DTXSID201036280
129411141,E-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,BKOBFLVYTXYFQZ-OWOJBTEDSA-N,E-6:2 Unsaturated fluorotelomer carboxylic acid,DTXSID30891463
146171053,(Z)-6:2 FTUAL,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C=O,IRFCYNBOXLFPAS-IWQZZHSRSA-N,(Z)-6:2 Fluorotelomer unsaturated aldehyde,
NA,(E)-6:2 FTUAL,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C=O,IRFCYNBOXLFPAS-HNQUOIGGSA-N,(E)-6:2 Fluorotelomer unsaturated aldehyde,
86290106,(Z)-6:2 FTUCA,C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,BKOBFLVYTXYFQZ-UPHRSURJSA-N,(Z)-6:2 Fluorotelomer unsaturated carboxylic acid,DTXSID201036280
129411141,(E)-6:2 FTUCA,C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,BKOBFLVYTXYFQZ-OWOJBTEDSA-N,(E)-6:2 Fluorotelomer unsaturated carboxylic acid,DTXSID30891463
74883,4:2 FTOH,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,JCMNMOBHVPONLD-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol,DTXSID1062122
NA,4:2 FTOH-Sulfate,C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,ZMKOLQPMWYJIKZ-UHFFFAOYSA-N,4:2 Fluorotelomer alcohol sulfate,DTXSID601034662
NA,4:2 FTOH-Gluc,C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,TYGAIOOXICPGHG-UQGZVRACSA-N,4:2 Fluorotelomer alcohol glucoronide,
10422795,4:2 FTAL,C(C=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,PLXBWBKXCKSJRL-UHFFFAOYSA-N,4:2 Fluorotelomer aldehyde,DTXSID80895239
15544178,4:2 FTCA,C(C(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,PMNVMTIBUIRJHZ-UHFFFAOYSA-N,4:2 Fluorotelomer carboxylic acid,DTXSID401033501
NA,(E)-4:2 FTUAL,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C=O,HFHWKEZNQKNBEL-HNQUOIGGSA-N,(Z)-4:2 Fluorotelomer unsaturated aldehyde,
146171041,(Z)-4:2 FTUAL,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C=O,HFHWKEZNQKNBEL-IWQZZHSRSA-N,(E)-4:2 Fluorotelomer unsaturated aldehyde,
87587204,(Z)-4:2 FTUCA,C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)\C(=O)O,CMFAKTRZLATJOA-UPHRSURJSA-N,(Z)-4:2 Fluorotelomer unsaturated carboxylic acid,
NA,(E)-4:2 FTUCA,C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)\C(=O)O,CMFAKTRZLATJOA-OWOJBTEDSA-N,(E)-4:2 Fluorotelomer unsaturated carboxylic acid,
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