60196375
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14
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15
-1
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255
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14.5186
12.7866
16.2507
11.0545
11.4205
12.4205
14.8846
15.8846
14.0186
15.0186
12.2866
13.2866
7.4651
7.9651
13.6526
4.8671
4.001
4.8671
4.001
5.7331
3.135
5.7331
3.135
6.5991
2.269
6.5991
2.269
1.403
7.4651
1.403
8.2742
6.6561
0.5369
6.9651
8.5529
15.3846
11.9205
5.0791
5.4776
3.789
3.3905
4.655
4.2565
4.2131
4.6116
5.9451
6.3437
2.923
2.5244
5.521
5.1225
3.3471
3.7456
6.8112
7.2097
2.0569
1.6584
6.3871
5.9885
2.481
2.8796
1.1909
0.7924
7.6772
8.0757
1.615
2.0135
8.8638
6.0665
0.2269
0
0.8469
6.6007
9.0545
8.9174
8.0513
7.4432
7.4432
8.4432
8.4432
7.0772
8.8092
8.8092
7.0772
8.3092
6.5772
6.5772
8.3092
12.5369
14.0758
6.9432
7.0369
6.5369
8.0369
5.5369
8.5369
5.0369
9.5369
4.0369
10.0369
3.5369
11.0369
2.5369
2.0369
11.5369
1.0369
13.1247
13.1247
0.5369
14.0758
14.8848
7.9432
7.9432
6.4543
7.1446
7.1195
6.4293
8.6195
7.9293
4.9543
5.6446
7.9543
8.6446
5.6195
4.9293
10.1195
9.4293
3.4543
4.1446
9.4543
10.1446
4.1195
3.4293
11.6195
10.9293
1.9543
2.6446
2.6196
1.9293
10.9543
11.6446
0.4543
1.1446
12.9331
12.9331
1.0739
0.2269
0
14.5774
14.5204
15.3864
15.2492
8
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8
13
13
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14
32
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34
34
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
604
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
11
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
17
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371F07B39C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methyl-imidazol-3-ium
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methylimidazol-3-ium
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methylimidazol-3-ium
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-hexadecyl-3-methyl-imidazol-3-ium
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-cetyl-3-methyl-imidazol-3-ium;ditriflylazanide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H39N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h18-20H,3-17H2,1-2H3;/q+1;-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
IEKPEVWFUIKZFI-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
587.228618
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H39F6N3O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
587.683179
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
94.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
587.228618
37
0
0
0
0
0
0
0
2
1