COMPOUND: C14216
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Entry
C14216 Compound
Name
4,4'-Sulfonyldiphenol;
Bisphenol S;
1,1'-Sulfonylbis(4-hydroxybenzene)
Formula
C12H10O4S
Exact mass
250.03
Mol weight
250.2704
Structure
Mol file
KCF file
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CAS:
80-09-1
PubChem:
7847026
ChEBI:
34372
PDB-CCD:
6JD
[
PDBj
]
NIKKAJI:
J10.509K
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KCF data
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ATOM 17
1 S4a S 28.8401 -16.0136
2 C8y C 30.0523 -16.7246
3 C8y C 27.6337 -16.7187
4 O3c O 27.8377 -15.0228
5 O3c O 29.8309 -15.0228
6 C8x C 31.2646 -16.0195
7 C8x C 30.0523 -18.1235
8 C8x C 26.4215 -16.0136
9 C8x C 27.6337 -18.1176
10 C8x C 32.4651 -16.7187
11 C8x C 31.2646 -18.8169
12 C8x C 25.2034 -16.7187
13 C8x C 26.4215 -18.8169
14 C8y C 32.4768 -18.1235
15 C8y C 25.2034 -18.1176
16 O1a O 33.6775 -18.8286
17 O1a O 23.9969 -18.8169
BOND 18
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 2
5 2 6 2
6 2 7 1
7 3 8 2
8 3 9 1
9 6 10 1
10 7 11 2
11 8 12 1
12 9 13 2
13 10 14 2
14 12 15 2
15 14 16 1
16 15 17 1
17 11 14 1
18 13 15 1
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