23682189
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3.732
2
12.3923
9.7942
7.1962
4.5981
2.866
3.232
4.232
18.4545
19.3205
17.5885
20.1865
16.7224
21.0526
15.8564
21.9186
14.9904
22.7846
14.1244
23.6506
13.2583
24.5167
11.5263
10.6603
8.9282
8.0622
6.3301
5.4641
18.853
18.056
18.922
19.719
17.1899
17.987
20.5851
19.788
17.121
16.3239
20.654
21.4511
15.4579
16.2549
22.3171
21.5201
15.3889
14.5919
22.3861
23.1831
13.7258
14.5229
24.0492
23.2521
13.6569
12.8598
24.2067
25.0536
24.8267
11.9248
11.1278
10.2617
11.0588
8.5297
9.3267
8.4607
7.6636
6.7287
5.9316
5.0656
5.8626
0
0
0
0.5
0
0.5
-0.5
0.866
-0.866
0.5
0
0
0.5
0.5
0
0
0.5
0.5
0
0
0.5
0.5
0
0.5
0
0
0.5
0.5
0
0.9749
0.9749
-0.4749
-0.4749
-0.4749
-0.4749
0.9749
0.9749
0.9749
0.9749
-0.4749
-0.4749
-0.4749
-0.4749
0.9749
0.9749
0.9749
0.9749
-0.4749
-0.4749
-0.4749
-0.4749
0.9749
0.9749
0.9749
0.9749
-0.5369
-0.31
0.5369
0.9749
0.9749
-0.4749
-0.4749
-0.4749
-0.4749
0.9749
0.9749
0.9749
0.9749
-0.4749
-0.4749
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
402
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
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
23
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371F0783820400000000000000000000000000000000000000000000000000000000000001A00000000000800A0800202000000040000000000003000000000000000000000000001000200000002000004000002000180C0A00000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
sodium;2-[2-(2-myristyloxyethoxy)ethoxy]ethyl sulfate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
MDSQKJDNWUMBQQ-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
448.247069
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C20H41NaO7S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
448.590109
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
103
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
448.247069
29
0
0
0
0
0
0
0
2
1