60149544
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255
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11.9205
9.6885
10.6885
10.5545
11.5545
8.8225
9.8225
7.5904
7.9564
8.9564
12.7866
12.4205
11.4205
4.001
4.501
3.135
2.269
3.135
2.269
4.001
1.403
1.403
4.8101
3.192
0.5369
10.1885
3.501
11.0545
9.3225
5.0888
8.4564
3.3471
3.7456
2.0569
1.6584
2.923
2.5244
2.481
2.8796
4.2131
4.6116
1.1909
0.7924
1.615
2.0135
5.3997
2.6024
0.2269
0
0.8469
3.1366
5.5904
5.4532
4.5872
5.6932
5.5592
3.8272
6.0592
4.3272
5.0592
3.3272
3.1932
4.5592
2.8272
6.1932
4.8272
6.5592
6.5369
8.0758
4.0369
3.5369
5.0369
2.5369
5.5369
2.0369
1.0369
7.1247
7.1247
0.5369
4.6932
8.0758
5.1932
4.1932
8.8848
3.6932
3.4543
4.1446
4.1195
3.4293
5.6195
4.9293
1.9543
2.6446
4.9543
5.6446
2.6195
1.9293
0.4543
1.1446
6.9331
6.9331
1.0739
0.2269
0
8.5774
8.5204
9.3864
9.2492
8
8
8
8
8
14
14
15
15
24
23
24
23
27
27
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
510
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
12
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
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B31C0400000000000000000000000000160000000000000000000000000018000001D04000000000800C142142F90170C1002A0001027647040802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C12H23N2.C4HF9O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-12H,3-9H2,1-2H3;(H,14,15,16)/q+1;/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
UOYPBMPPFOQUMO-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
494.128568
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C16H23F9N2O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
494.416049
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCN1C=C[N+](=C1)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCN1C=C[N+](=C1)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
74.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
494.128568
31
0
0
0
0
0
0
0
2
1