COMPOUND: C15300
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Entry
C15300 Compound
Name
Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione
Formula
C17H17ClO5S
Exact mass
368.0485
Mol weight
368.8319
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396297
ChEBI:
79802
NIKKAJI:
J146.160E
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KCF data
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ATOM 24
1 C8y C 14.6300 -16.4500
2 C8x C 14.6300 -17.8500
3 C8y C 15.8424 -18.5500
4 C8y C 17.0549 -17.8500
5 C8y C 17.0549 -16.4500
6 C8y C 15.8424 -15.7500
7 C5x C 19.4797 -17.8500
8 C1z C 19.4797 -16.4500
9 O2x O 18.2673 -15.7500
10 O5x O 20.4597 -18.8301
11 C1y C 20.6921 -17.1500
12 C1x C 21.9046 -16.4500
13 C5x C 21.9046 -15.0500
14 C2x C 20.6921 -14.3500
15 C2y C 19.4797 -15.0500
16 S2a S 18.2673 -14.3500
17 C1a C 18.2673 -12.9500
18 C1a C 21.9046 -17.8500
19 O5x O 23.1211 -14.3476
20 O2a O 15.8424 -19.9498
21 O2a O 13.4176 -15.7500
22 X Cl 15.8424 -14.3502
23 C1a C 12.2221 -16.4404
24 C1a C 17.0548 -20.6498
BOND 26
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 2
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 8 15 1
18 15 16 1
19 16 17 1
20 11 18 1
21 13 19 2
22 3 20 1
23 1 21 1
24 6 22 1
25 21 23 1
26 20 24 1
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