23694248
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255
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14.1244
13.2583
13.2583
14.2583
12.2583
8.0622
7.1962
8.9282
6.3301
9.7942
5.4641
10.6603
4.5981
11.5263
3.732
12.3923
2.866
13.2583
2
12.3923
14.1244
13.2583
14.1244
8.4607
7.6636
6.7976
7.5947
8.5297
9.3267
6.7287
5.9316
10.1928
9.3957
5.0656
5.8626
10.2617
11.0588
4.9966
4.1996
11.9248
11.1278
3.3335
4.1306
3.2646
2.4675
1.69
1.4631
2.31
11.8554
14.6613
13.2583
14.6613
2.25
0.75
1.75
0.75
0.75
-0.25
-0.75
-0.75
-0.25
-0.25
-0.75
-0.75
-0.25
-0.25
-0.75
-0.75
-0.25
-0.25
-0.75
-1.75
-0.75
-2.25
-1.75
0.2249
0.2249
-1.225
-1.225
-1.225
-1.225
0.2249
0.2249
0.2249
0.2249
-1.225
-1.225
-1.225
-1.225
0.2249
0.2249
0.2249
0.2249
-1.225
-1.225
0.2249
0.2249
-0.2131
-1.06
-1.2869
-2.06
-0.44
-2.87
-2.06
8
8
8
8
8
8
16
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22
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20
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22
23
23
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
365
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
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
12
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E0783000400000000800000000000000000000000000300000000000000000010000001804000000000C008058003201800000028002204200704200402000000888180000880820228011108020002080000888070080C00E00000000000400000000000000080000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;rubidium(1+)
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;rubidium(1+)
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;rubidium(1+)
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;rubidium(1+)
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-laurylbesylate;rubidium(1+)
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C18H30O3S.Rb/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
KOANGMONPVHFML-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
410.095531
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H29O3RbS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
410.95386
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Rb+]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Rb+]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
65.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
410.095531
23
0
0
0
0
0
0
0
2
1