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English
CTK0J6936
group of stereoisomers with the chemical formula C₁₅H₁₄N₂O₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
318.067427928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄N₂O₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC2Cc2ccccc2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]2Cc2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H14N2O4S/c18-17(19)13-6-8-15(9-7-13)22(20,21)16-11-14(16)10-12-4-2-1-3-5-12/h1-9,14H,10-11H2/t14-,16?/m0/s1
0 references
InChIKey
IHLFUJIVYFFCNW-LBAUFKAWSA-N
0 references
CAS Registry Number
219738-95-1
0 references
PubChem CID
10495771
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32322568
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20440888
0 references
DSSTOX compound identifier
DTXCID70391710
0 references
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