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(Q82016701)
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English
1-Methoxy-4-methyl-2-[(4-nitrophenyl)sulfanyl]benzene
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
275.061614276
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₃NO₃S
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canonical SMILES
CC1=CC(=C(C=C1)OC)SC2=CC=C(C=C2)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C14H13NO3S/c1-10-3-8-13(18-2)14(9-10)19-12-6-4-11(5-7-12)15(16)17/h3-9H,1-2H3
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InChIKey
GHTKILHJFVGBJF-UHFFFAOYSA-N
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CAS Registry Number
5465-76-9
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PubChem CID
230698
1 reference
matched by identifier from
InChIKey
InChIKey
GHTKILHJFVGBJF-UHFFFAOYSA-N
UniChem compound ID
12315411
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40282429
1 reference
matched by identifier from
InChIKey
InChIKey
GHTKILHJFVGBJF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90233582
0 references
NSC number
25838
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