COMPOUND: C16411
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Entry
C16411 Compound
Name
4,4',6,6'-Tetranitro-2,2'-azoxytoluene
Formula
C14H10N6O9
Exact mass
406.0509
Mol weight
406.264
Structure
Mol file
KCF file
DB search
Reaction
R08038
Pathway
map00633
Nitrotoluene degradation
Other DBs
CAS:
35212-01-2
PubChem:
47205709
NIKKAJI:
J697.736G
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All DBs
KCF data
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ATOM 29
1 N2b N 12.3200 -18.6200 #+
2 N2b N 13.7200 -18.6200
3 C8y C 14.4200 -19.8324
4 C8y C 11.6200 -17.4076
5 C8x C 13.7296 -21.0279
6 C8y C 14.4295 -22.2404
7 C8x C 15.8295 -22.2406
8 C8y C 16.5199 -21.0451
9 C8y C 15.8200 -19.8326
10 C8y C 12.3104 -16.2121
11 C8y C 11.6105 -14.9996
12 C8x C 10.2105 -14.9994
13 C8y C 9.5201 -16.1949
14 C8x C 10.2200 -17.4074
15 C1a C 13.7197 -16.2120
16 N2b N 12.3215 -13.7684 #+
17 N2b N 8.1202 -16.1947 #+
18 C1a C 16.5300 -18.6034
19 N2b N 17.9198 -21.0453 #+
20 N2b N 13.7185 -23.4716 #+
21 O3a O 11.6200 -19.8324 #-
22 O3a O 12.3202 -23.4713
23 O3a O 18.6094 -19.8515
24 O3a O 13.7198 -13.7687
25 O3a O 7.4306 -17.3885
26 O3a O 7.4095 -14.9637 #-
27 O3a O 11.6305 -12.5715 #-
28 O3a O 18.6305 -22.2763 #-
29 O3a O 14.4094 -24.6685 #-
BOND 30
1 1 2 2
2 2 3 1
3 1 4 1
4 3 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 3 9 1
10 4 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 4 14 1
16 10 15 1
17 11 16 1
18 13 17 1
19 9 18 1
20 8 19 1
21 6 20 1
22 1 21 1
23 20 22 2
24 19 23 2
25 16 24 2
26 17 25 2
27 17 26 1
28 16 27 1
29 19 28 1
30 20 29 1
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