60196397
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16
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8
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3
-1
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2
6
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49
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134
1
2
2
1
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5
255
1
2
3
4
5
6
7
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10
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13
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134
13.5273
4.001
13.5273
14.5273
12.5273
4.8671
3.135
3.501
4.501
5.7331
2.269
4.001
4.001
6.5991
4.501
3.501
1.403
7.4651
8.3312
0.5369
4.001
4.001
9.1972
10.0632
10.9292
11.7953
12.6613
13.5273
14.3933
15.2594
7.4651
8.3312
6.5991
9.1972
5.7331
10.0632
16.1254
4.8671
10.9292
4.001
11.7953
3.135
12.6613
13.5273
2.269
12.6613
14.3933
13.5273
14.3933
5.2656
4.4685
4.976
2.7365
3.5335
4.976
3.0261
3.0261
5.3346
6.1316
2.6675
1.8705
4.476
4.476
3.5261
3.5261
6.9976
6.2006
1.0044
1.8015
3.0261
3.0261
4.976
4.976
7.0666
7.8637
8.7297
7.9326
0.8469
0
0.2269
4.538
4.311
3.4641
3.4641
3.691
4.538
8.7987
9.5957
10.4617
9.6647
10.5307
11.3278
12.1938
11.3967
12.2628
13.0598
13.9258
13.1288
13.9948
14.7919
15.6579
14.8608
7.0666
7.8637
8.7297
7.9326
6.9976
6.2006
8.7987
9.5957
5.3346
6.1316
10.4617
9.6647
15.8154
16.6623
16.4354
5.2656
4.4685
10.5307
11.3278
3.6025
4.3996
12.1938
11.3967
3.5335
2.7365
1.959
1.732
2.579
12.1244
14.9303
13.5273
14.9303
3.62
10.621
4.62
3.62
3.62
11.121
10.121
11.4871
9.755
10.621
10.621
12.3531
8.889
11.121
8.023
13.2191
10.121
10.621
11.121
10.621
14.0851
7.1569
10.621
11.121
10.621
11.121
10.621
11.121
10.621
11.121
2.12
2.62
2.62
2.12
2.12
2.62
10.621
2.62
2.12
2.12
2.62
2.62
2.12
2.62
2.12
1.12
2.12
0.62
1.12
11.596
11.596
9.3565
9.6461
9.6461
10.1535
11.8856
11.0885
10.1461
10.1461
11.096
11.096
11.9546
12.7516
9.2875
8.4905
11.596
11.596
9.6461
9.6461
13.6176
12.8206
7.6244
8.4215
10.1461
10.1461
11.596
11.596
11.158
10.931
10.0841
13.7751
14.6221
14.3951
7.4669
6.62
6.8469
10.1461
10.1461
11.596
11.596
10.1461
10.1461
11.596
11.596
10.1461
10.1461
11.596
11.596
10.1461
10.1461
11.596
11.596
1.645
1.645
3.095
3.095
3.095
3.095
1.645
1.645
1.645
1.645
3.095
3.095
10.0841
10.311
11.158
3.095
3.095
1.645
1.645
1.645
1.645
3.095
3.095
3.095
3.095
2.6569
1.81
1.5831
0.81
2.43
0
0.81
8
8
8
8
8
8
43
43
44
46
47
48
44
46
47
48
49
49
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
597
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
33
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371F07C300240000000000000000000000000000000000030000000000000000001000000180C000000000C008858003201800000228002204200704200402000000888180000880820228011108020002080000888070080C00E00000000000400000000000000080000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;tributyl(tetradecyl)phosphonium
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;tributyl(tetradecyl)phosphonium
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;tributyl(tetradecyl)phosphanium
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-dodecylbenzenesulfonate;tributyl(tetradecyl)phosphanium
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-laurylbesylate;tributyl(myristyl)phosphonium
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C26H56P.C18H30O3S/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h5-26H2,1-4H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)/q+1;/p-1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
UIWFKZBONQGUDI-UHFFFAOYSA-M
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
724.595704
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C44H85O3PS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
725.182662
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]
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
724.595704
49
0
0
0
0
0
0
0
2
1