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(Q82376357)
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English
4-Amino-5-(methanesulfonyl)-2-methoxybenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
245.035793452
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₁NO₅S
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canonical SMILES
COC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N
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Identifiers
InChI
InChI=1S/C9H11NO5S/c1-15-7-4-6(10)8(16(2,13)14)3-5(7)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
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InChIKey
PGTLUUCBHDLKKY-UHFFFAOYSA-N
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CAS Registry Number
71675-99-5
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PubChem CID
13023432
1 reference
matched by identifier from
InChIKey
InChIKey
PGTLUUCBHDLKKY-UHFFFAOYSA-N
UniChem compound ID
25305685
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20515464
1 reference
matched by identifier from
InChIKey
InChIKey
PGTLUUCBHDLKKY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30466271
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