 | | COMPOUND: C07874 | |
| Entry |
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| Name |
1,4-Bis(2-ethylhexyl) sulfosuccinate;
Docusate hydrogen
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| Formula |
C20H38O7S
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| Exact mass |
422.2338
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| Mol weight |
422.5765
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| Structure |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0702 Wax diesters
C07874 1,4-Bis(2-ethylhexyl) sulfosuccinate
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| Other DBs |
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| KCF data |
ATOM 28
1 C1c C 30.6882 -15.4993
2 C7a C 31.8936 -16.1921
3 C1b C 29.4829 -16.1921
4 S4a S 30.6882 -14.1075
5 O7a O 33.0930 -15.4993
6 O6a O 31.8936 -17.5837
7 C7a C 28.2776 -15.4993
8 O1d O 30.6883 -12.5528
9 O1d O 29.2791 -14.1659
10 O1d O 32.1614 -14.1602
11 C1b C 34.2926 -16.1921
12 O7a O 27.0722 -16.1921
13 O6a O 28.2776 -14.1075
14 C1c C 35.4979 -15.4993
15 C1b C 25.8728 -15.4993
16 C1b C 36.7033 -16.1921
17 C1b C 35.4979 -14.1075
18 C1c C 24.6675 -16.1921
19 C1b C 37.9086 -15.4993
20 C1a C 36.7033 -13.4088
21 C1b C 23.4621 -15.4993
22 C1b C 24.6675 -17.5837
23 C1b C 39.1139 -16.1921
24 C1b C 22.2626 -16.1921
25 C1a C 23.4621 -18.2767
26 C1a C 40.3191 -15.4993
27 C1b C 21.0515 -15.4993
28 C1a C 19.8461 -16.1921
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 4 9 2
9 4 10 2
10 5 11 1
11 7 12 1
12 7 13 2
13 11 14 1
14 12 15 1
15 14 16 1
16 14 17 1
17 15 18 1
18 16 19 1
19 17 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 21 24 1
24 22 25 1
25 23 26 1
26 24 27 1
27 27 28 1
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