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(Q82047150)
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English
4,8,8-trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzenesulfinate
chemical compound
4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl 4-methylbenzene-1-sulfinate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
346.19665119999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc(S(=O)OC2C3CCC4C3C(C)(C)CCCC42C)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O2S/c1-14-6-8-15(9-7-14)24(22)23-19-16-10-11-17-18(16)20(2,3)12-5-13-21(17,19)4/h6-9,16-19H,5,10-13H2,1-4H3
0 references
InChIKey
RALIZLGECMUKNT-UHFFFAOYSA-N
0 references
CAS Registry Number
23768-36-7
reason for deprecated rank
cannot be confirmed by other sources
0 references
23849-10-7
reason for deprecated rank
deprecated identifier value
0 references
PubChem CID
289144
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62211376
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20302391
0 references
DTXSID60946652
0 references
DSSTOX compound identifier
DTXCID10253525
0 references
DTXCID80954759
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NSC number
150801
0 references
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