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(Q83030736)
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English
1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-
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
489.148218088
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₄FN₅O₅S
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canonical SMILES
CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=C(C=C3)F
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Identifiers
InChI
InChI=1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3
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InChIKey
YXBRWTPSYYDWIO-UHFFFAOYSA-N
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CAS Registry Number
142744-28-3
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PubChem CID
3072514
1 reference
matched by identifier from
InChIKey
InChIKey
YXBRWTPSYYDWIO-UHFFFAOYSA-N
UniChem compound ID
406670
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90162161
1 reference
matched by identifier from
InChIKey
InChIKey
YXBRWTPSYYDWIO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID4084652
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