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(Q83024628)
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English
Benzoic acid, 4-bromo-, 4-(dioctylamino)-2-butynyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
491.239891684
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₂BrNO₂
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canonical SMILES
CCCCCCCCN(CCCCCCCC)CC#CCOC(=O)C1=CC=C(C=C1)Br
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Identifiers
InChI
InChI=1S/C27H42BrNO2/c1-3-5-7-9-11-13-21-29(22-14-12-10-8-6-4-2)23-15-16-24-31-27(30)25-17-19-26(28)20-18-25/h17-20H,3-14,21-24H2,1-2H3
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InChIKey
WXUSEAOQYVWVOK-UHFFFAOYSA-N
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CAS Registry Number
130421-66-8
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PubChem CID
3076208
1 reference
matched by identifier from
InChIKey
InChIKey
WXUSEAOQYVWVOK-UHFFFAOYSA-N
UniChem compound ID
56738473
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50156546
1 reference
matched by identifier from
InChIKey
InChIKey
WXUSEAOQYVWVOK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2079037
0 references
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