COMPOUND: C16193
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Entry
C16193 Compound
Name
1,6-Naphthalenedisulfonic acid
Formula
C10H8O6S2
Exact mass
287.9762
Mol weight
288.2969
Structure
Mol file
KCF file
DB search
Reaction
R07682
Pathway
map00626
Naphthalene degradation
Enzyme
1.14.99.-
Other DBs
CAS:
525-37-1
PubChem:
47205501
ChEBI:
30891
NIKKAJI:
J6.649D
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KCF data
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ATOM 18
1 C8x C 19.1800 -13.6500
2 C8y C 19.1800 -15.0500
3 C8x C 20.3924 -15.7500
4 C8y C 21.6049 -15.0500
5 C8y C 21.6049 -13.6500
6 C8x C 20.3924 -12.9500
7 C8x C 22.8173 -15.7500
8 C8x C 24.0297 -15.0500
9 C8x C 24.0297 -13.6500
10 C8y C 22.8173 -12.9500
11 S4a S 17.9676 -15.7500
12 S4a S 22.8173 -11.5500
13 O1d O 17.1176 -14.5501
14 O1d O 18.8875 -16.9499
15 O1d O 24.2173 -11.5500
16 O1d O 21.4173 -11.5500
17 O1d O 16.6852 -16.3800
18 O1d O 22.8173 -10.1500
BOND 19
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 2 11 1
13 10 12 1
14 11 13 2
15 11 14 2
16 12 15 2
17 12 16 2
18 11 17 1
19 12 18 1
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