 | | COMPOUND: C11591 | |
| Entry |
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| Name |
DIDS;
4,4'-Diisothiocyanostilbene-2,2'-disulfonic acid
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| Formula |
C16H10N2O6S4
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| Exact mass |
453.9422
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| Mol weight |
454.5204
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| Structure |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
C11591 DIDS
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| Other DBs |
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| KCF data |
ATOM 28
1 C8y C 21.8400 -17.1500
2 C8x C 20.6500 -17.8500
3 C8y C 23.0300 -17.8500
4 S4a S 21.8400 -15.8200
5 C8y C 20.6500 -19.2500
6 C8x C 23.0300 -19.2500
7 O1d O 21.8400 -14.1400
8 O1d O 20.4400 -15.8200
9 O1d O 23.1700 -15.8200
10 C8x C 21.8400 -19.8800
11 N2b N 19.4600 -19.8800
12 C0 C 18.2000 -19.1800
13 S0 S 17.0100 -19.8800
14 C2b C 24.2200 -17.2200
15 C2b C 25.4800 -17.9200
16 C8y C 27.8600 -17.9200
17 C8x C 29.0500 -17.2200
18 C8y C 26.6700 -17.2200
19 S4a S 27.8600 -19.2500
20 C8y C 29.0500 -15.8200
21 C8x C 26.6700 -15.8200
22 O1d O 27.8600 -20.9300
23 O1d O 29.3300 -19.2500
24 O1d O 26.5300 -19.2500
25 C8x C 27.8600 -15.1200
26 N2b N 30.2400 -15.1200
27 C0 C 31.4300 -15.8200
28 S0 S 32.6900 -15.1200
BOND 29
1 3 14 1
2 1 4 1
3 14 15 2
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 2
8 4 9 2
9 5 10 2
10 5 11 1
11 6 10 1
12 11 12 2
13 1 2 2
14 16 17 2
15 16 18 1
16 16 19 1
17 17 20 1
18 18 21 2
19 19 22 1
20 19 23 2
21 19 24 2
22 20 25 2
23 20 26 1
24 21 25 1
25 12 13 2
26 26 27 2
27 1 3 1
28 27 28 2
29 18 15 1
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