12040509
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11.9205
10.1885
13.6526
8.4564
8.8225
9.8225
12.2866
13.2866
11.4205
12.4205
9.6885
10.6885
4.8671
5.3671
11.0545
3.135
3.135
4.001
2.269
4.001
2.269
4.8671
1.403
1.403
5.6761
4.058
0.5369
4.3671
5.9549
12.7866
9.3225
2.923
2.5244
3.3471
3.7456
4.2131
4.6116
2.0569
1.6584
3.789
3.3905
2.481
2.8796
5.0791
5.4776
1.1909
0.7924
1.615
2.0135
6.2657
3.4684
0.2269
0
0.8469
4.0026
6.4564
6.3193
5.4533
5.1932
5.1932
6.1932
6.1932
4.8272
6.5592
6.5592
4.8272
6.0592
4.3272
4.3272
6.0592
8.0369
9.5758
4.6932
5.0369
4.0369
5.5369
3.5369
6.5369
2.5369
7.0369
2.0369
1.0369
8.6247
8.6247
0.5369
9.5758
10.3848
5.6932
5.6932
5.6195
4.9293
3.4543
4.1446
4.9543
5.6446
4.1195
3.4293
7.1195
6.4293
1.9543
2.6446
6.4543
7.1446
2.6195
1.9293
0.4543
1.1446
8.4331
8.4331
1.0739
0.2269
0
10.0774
10.0204
10.8864
10.7492
8
8
8
8
8
13
13
14
14
26
25
26
25
28
28
0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
533
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
11
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-decyl-3-methyl-imidazol-3-ium
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methyl-imidazol-3-ium
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-decyl-3-methyl-imidazol-3-ium;ditriflylazanide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
ZYVGZWFCGPUVSH-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
503.134718
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C16H27F6N3O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
503.523699
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCN1C=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
CCCCCCCCCCN1C=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
503.134718
31
0
0
0
0
0
0
0
2
1