53316407
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255
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12.7866
11.0545
14.5186
9.3225
9.6885
10.6885
13.1526
14.1526
12.2866
13.2866
10.5545
11.5545
5.7331
6.2331
11.9205
4.001
3.135
4.001
3.135
4.8671
2.269
4.8671
2.269
5.7331
1.403
1.403
6.5421
4.9241
0.5369
5.2331
6.8209
13.6526
10.1885
4.2131
4.6116
2.923
2.5244
3.789
3.3905
3.3471
3.7456
5.0791
5.4776
2.0569
1.6584
4.655
4.2565
2.481
2.8796
5.9451
6.3437
1.1909
0.7924
1.615
2.0135
7.1318
4.3344
0.2269
0
0.8469
4.8687
7.3225
7.1853
6.3193
5.9432
5.9432
6.9432
6.9432
5.5772
7.3092
7.3092
5.5772
6.8092
5.0772
5.0772
6.8092
9.5369
11.0758
5.4432
5.5369
5.0369
6.5369
4.0369
7.0369
3.5369
8.0369
2.5369
8.5369
2.0369
1.0369
10.1247
10.1247
0.5369
11.0758
11.8848
6.4432
6.4432
4.9543
5.6446
5.6195
4.9293
7.1195
6.4293
3.4543
4.1446
6.4543
7.1446
4.1195
3.4293
8.6195
7.9293
1.9543
2.6446
7.9543
8.6446
2.6196
1.9293
0.4543
1.1446
9.9331
9.9331
1.0739
0.2269
0
11.5774
11.5204
12.3864
12.2492
8
8
8
8
8
13
13
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14
28
27
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30
30
0
Compound
Canonicalized
5
2011.06.29
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
556
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
13
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B39C0600000000000000000000000000160000000000000000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methyl-imidazol-3-ium
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methyl-imidazol-3-ium
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
ditriflylazanide;1-lauryl-3-methyl-imidazol-3-ium
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C16H31N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-16H,3-13H2,1-2H3;/q+1;-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
RJCNRVFKCLDBEC-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
531.166018
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H31F6N3O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
531.576859
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCN1C=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
CCCCCCCCCCCCN1C=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
531.166018
33
0
0
0
0
0
0
0
2
1