PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
13101,6PPD,CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2,ZZMVLMVFYMGSMY-UHFFFAOYSA-N,"N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine",DTXSID9025114
154926030,6PPD-quinone,CC(C)CC(C)NC1=CC(=O)C(NC2=CC=CC=C2)=CC1(=O),UBMGKRIXKUIXFQ-UHFFFAOYSA-N,,
67215,Leucomalachite green,CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C,WZKXBGJNNCGHIC-UHFFFAOYSA-N,,DTXSID7031531
11294,Malachite green,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-],FDZZZRQASAIRJF-UHFFFAOYSA-M,,DTXSID1025512
11295,Malachite green cation,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3,VFCNQNZNPKRXIT-UHFFFAOYSA-N,,DTXSID3043784
71091427,4-[[4-(Dimethylamino) phenyl]-phenylmethyl]-N-methylaniline,CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C,MCEWFWVFARJELO-UHFFFAOYSA-N,,
12421730,"4,4'-(Phenylmethylene)bis(N-methylaniline)",CNC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)NC,OPQNVMBGRKGHPG-UHFFFAOYSA-N,,
19064224,4-(Methylamino)benzophenone,CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,REYZVMWSJNEXKO-UHFFFAOYSA-N,,DTXSID00597743
74483,PFOS,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,,DTXSID3031864
14571268,Perfluorooctanol,C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(O)(F)F)(F)F)(F)F)(F)F,UQDUPHDELLQMOV-UHFFFAOYSA-N,,DTXSID90561796
67634,Perfluorooctanoyl fluoride,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F,ZILWJLIFAGWGLE-UHFFFAOYSA-N,,DTXSID0059829
9554,PFOA,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,SNGREZUHAYWORS-UHFFFAOYSA-N,,DTXSID8031865
22160290,Perfluoroheptanol,C(C(C(C(O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,XCWMATKNFUWXCN-UHFFFAOYSA-N,,DTXSID70623043
67817,Perfluoroheptanoyl fluoride,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F,XLIFBQWTSCGUEB-UHFFFAOYSA-N,,DTXSID4059918
67819,PFHpA,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,,DTXSID1037303
67542,PFHxA,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,PXUULQAPEKKVAH-UHFFFAOYSA-N,,DTXSID3031862
75921,PFPeA,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,CXZGQIAOTKWCDB-UHFFFAOYSA-N,,DTXSID6062599
9777,PFBA,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,YPJUNDFVDDCYIH-UHFFFAOYSA-N,,DTXSID4059916
62356,PFPA,C(=O)(C(C(F)(F)F)(F)F)O,LRMSQVBRUNSOJL-UHFFFAOYSA-N,,DTXSID8059970
67734,PFHxS,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,QZHDEAJFRJCDMF-UHFFFAOYSA-N,,DTXSID7040150
67815,PFBS,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,JGTNAGYHADQMCM-UHFFFAOYSA-N,,DTXSID5030030
67818,PFHpA,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,,DTXSID1037303
280,Carbon dioxide,C(=O)=O,CURLTUGMZLYLDI-UHFFFAOYSA-N,,DTXSID4027028
962,Water,O,XLYOFNOQVPJJNP-UHFFFAOYSA-N,,DTXSID6026296
28179,Fluoride,[F-],KRHYYFGTRYWZRS-UHFFFAOYSA-M,,DTXSID9049617
1117,Sulphate,[O-]S(=O)(=O)[O-],QAOWNCQODCNURD-UHFFFAOYSA-L,,DTXSID3042425
23234364,Perfluorocyclooctane,C1(C(C(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,BCLLRNVMLZXSMM-UHFFFAOYSA-N,,
10132570,Perfluorocycloheptane,C1(C(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,FNVLGCVAWPSVSK-UHFFFAOYSA-N,,DTXSID10436078
9640,Perfluorocyclohexane,C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,RKIMETXDACNTIE-UHFFFAOYSA-N,,DTXSID5075232
67828,Perfluorocyclopentane,C1(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F,PWMJXZJISGDARB-UHFFFAOYSA-N,,DTXSID10191039
8263,Perfluorocyclobutane,C1(C(C(C1(F)F)(F)F)(F)F)(F)F,BCCOBQSFUDVTJQ-UHFFFAOYSA-N,,DTXSID9041811
62479,Hexa(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC,BNCADMBVWNPPIZ-UHFFFAOYSA-N,hexamethoxymethylmelamine (HMMM),DTXSID9027520
18785363,Penta(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC),LEVZZYOVVQKGOM-UHFFFAOYSA-N,PMMM ,DTXSID30596249
83757,HMMM TP377,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)CO,JQALNNOQTGZTJZ-UHFFFAOYSA-N,HMMM TP377,DTXSID90930024
156601178,HMMM TP375,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)C=O,UPFQVJAGBXCQOE-UHFFFAOYSA-N,HMMM TP375,
19596821,Tetra(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N,GDXYMSLKTXSGBS-UHFFFAOYSA-N,TetraMMM ,DTXSID30598925
20318181,HMMM TP363,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(CO)CO,GSRBPSZSSSOAHJ-UHFFFAOYSA-N,HMMM TP363,
156601175,HMMM TP383,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O)CO,PRDOSDUGXKTFET-UHFFFAOYSA-N,HMMM TP383,
156601177,HMMM TP353,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(C=O),TXFCZCYWLIIXLR-UHFFFAOYSA-N,HMMM TP353,
20067384,Tri(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N(COC))N,QRUPLLGJMSYASL-UHFFFAOYSA-N,TriMMM ,
20463987,HMMM TP311,COCN(COC)C1=NC(=NC(=N1)N(COC)CO)N,QMMGPJGNVGPLON-UHFFFAOYSA-N,HMMM TP311,
156601179,HMMM TP287,COCN(COC)C1=NC(=NC(=N1)N(COC)C=O)N,VASSCAPEVQZJKA-UHFFFAOYSA-N,HMMM TP287,
20484942,HMMM TP349,COCN(COC)C1=NC(=NC(=N1)N(COC)CO)N(CO)CO,JFPDYZRUBOUZEV-UHFFFAOYSA-N,HMMM TP349,
156601173,HMMM TP339,COCN(COC)C1=NC(=NC(=N1)N(C=O)CO)N(COC),DSPHGRWZRGBFBS-UHFFFAOYSA-N,HMMM TP339,
156601180,HMMM TP315,COCN(COC)C1=NC(=NC(=N1)N(C=O)C=O)N(COC),ZEDNIDNOYZSSMO-UHFFFAOYSA-N,HMMM TP315,
19596820,Bis(methoxymethyl)melamine,COCN(COC)C1=NC(=NC(=N1)N)N,ZZQSSGSSJLWADI-UHFFFAOYSA-N,DiMMM ,
53965793,HMMM TP245,COCN(COC)C1=NC(=NC(=N1)N(CO))N,JOCMJNZFQXOCOZ-UHFFFAOYSA-N,HMMM TP245,
156601176,HMMM TP243,COCN(COC)C1=NC(=NC(=N1)N(C=O))N,QJQMZQYWVWCKJV-UHFFFAOYSA-N,HMMM TP243,
156601174,HMMM TP325,COCN(COC)C1=NC(=NC(=N1)N(CO)CO)N(C=O),FEWJLIJJJNSFNR-UHFFFAOYSA-N,HMMM TP325,
77943,Methoxymethylmelamine,COCNC1=NC(=NC(=N1)N)N,KFVIYKFKUYBKTP-UHFFFAOYSA-N,MonoMMM ,DTXSID20962611
7955,Melamine,NC1=NC(=NC(=N1)N)N,JDSHMPZPIAZGSV-UHFFFAOYSA-N,Melamine ,DTXSID6020802
70300,"[(4,6-Diamino-1,3,5-triazin-2-yl)amino]methanol",OCNC1=NC(=NC(=N1)N)N,MBHRHUJRKGNOKX-UHFFFAOYSA-N,HMMM TP157,DTXSID30918200
25796,"N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide",O=CNC1=NC(=NC(=N1)N)N,BPISYIZLDVUTAP-UHFFFAOYSA-N,HMMM TP155,DTXSID20157505
14550408,6:2 diPAP,C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,ZDYYWMSLMLTXDM-UHFFFAOYSA-N,6:2 Fluorotelomer phosphate diester,DTXSID50561590
156620404,6:2 FTMAP,O=P1(O)OCC(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CO1)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,IPWHZYSPFHBGAW-UHFFFAOYSA-N,,
102352,diSAmPAP,OP(=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)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,BZZAKKWGRKFWJJ-UHFFFAOYSA-N,Bis(2-{ethyl[(perfluorooctyl)sulfonyl]amino}ethyl) hydrogen phosphate,DTXSID2062747
18134,EtFOSAA,CCN(CC(=O)O)S(=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,CKRXVVGETMYFIO-UHFFFAOYSA-N,2-(N-Ethylperfluorooctanesulfonamido)acetic acid,DTXSID5062760
10507011,FOSAA,C(C(=O)O)NS(=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,AYLOUUCBACYHAB-UHFFFAOYSA-N,"N-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)sulfonyl]glycine",DTXSID40440941
69785,FOSA,C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,RRRXPPIDPYTNJG-UHFFFAOYSA-N,Perfluorooctanesulfonamide,DTXSID3038939
119688,6:2 FTSA,OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,VIONGDJUYAYOPU-UHFFFAOYSA-N,6:2 Fluorotelomer sulfonic acid,DTXSID6067331