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(Q82900197)
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English
Ethyl 3-ethyl-1-(4-nitrobenzene-1-sulfonyl)-4-oxoazetidine-2-carboxylate
group of stereoisomers with the chemical formula C₁₄H₁₆N₂O₇S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
356.067821852
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₆N₂O₇S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)C1C(CC)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)[C@@H]1C(CC)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H16N2O7S/c1-3-11-12(14(18)23-4-2)15(13(11)17)24(21,22)10-7-5-9(6-8-10)16(19)20/h5-8,11-12H,3-4H2,1-2H3/t11?,12-/m0/s1
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InChIKey
FYFRVXKQSCCYAE-KIYNQFGBSA-N
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CAS Registry Number
127020-81-9
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PubChem CID
124419
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45103589
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20925766
0 references
DSSTOX compound identifier
DTXCID401354591
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