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(Q82764541)
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English
4-{6-[(1-Methyl-5-nitro-1H-imidazol-2-yl)sulfanyl]hexyl}benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
363.12527715199997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₁N₃O₄S
0 references
canonical SMILES
CN1C(=CN=C1SCCCCCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C17H21N3O4S/c1-19-15(20(23)24)12-18-17(19)25-11-5-3-2-4-6-13-7-9-14(10-8-13)16(21)22/h7-10,12H,2-6,11H2,1H3,(H,21,22)
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InChIKey
SRXJZCXMPSBTDD-UHFFFAOYSA-N
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CAS Registry Number
64444-87-7
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PubChem CID
71371805
1 reference
matched by identifier from
InChIKey
InChIKey
SRXJZCXMPSBTDD-UHFFFAOYSA-N
UniChem compound ID
61430285
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80794718
1 reference
matched by identifier from
InChIKey
InChIKey
SRXJZCXMPSBTDD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20745461
0 references
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