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(Q82903659)
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English
S-(3-Bromo-6-hydroxycyclohexa-2,4-dien-1-yl)-N-(1-hydroxyethylidene)cysteine
group of stereoisomers with the chemical formula C₁₁H₁₄BrNO₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
334.9826910279999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄BrNO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=NC(CSC1C=C(Br)C=CC1O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CSC1C=C(Br)C=CC1O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H14BrNO4S/c1-6(14)13-8(11(16)17)5-18-10-4-7(12)2-3-9(10)15/h2-4,8-10,15H,5H2,1H3,(H,13,14)(H,16,17)/t8-,9?,10?/m0/s1
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InChIKey
ZQHJIBWLHAGDPQ-IDKOKCKLSA-N
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CAS Registry Number
134958-24-0
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PubChem CID
3035665
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66360363
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00928836
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DSSTOX compound identifier
DTXCID001357600
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