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(Q82460016)
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English
2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
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
297.08234972
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₅NO₂S
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canonical SMILES
CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C2=O
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Identifiers
InChI
InChI=1S/C17H15NO2S/c1-12-6-8-13(9-7-12)21-11-10-18-16(19)14-4-2-3-5-15(14)17(18)20/h2-9H,10-11H2,1H3
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InChIKey
PIZFWBBQVWOCGP-UHFFFAOYSA-N
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CAS Registry Number
87943-20-2
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PubChem CID
15349815
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matched by identifier from
InChIKey
InChIKey
PIZFWBBQVWOCGP-UHFFFAOYSA-N
UniChem compound ID
7738904
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50571836
1 reference
matched by identifier from
InChIKey
InChIKey
PIZFWBBQVWOCGP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70522608
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