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(Q104168786)
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English
(5-Acetyloxy-4-bromopenta-1,3-dienyl) 3-(2-heptylcyclopropyl)propanoate
group of stereoisomers with the chemical formula C₂₀H₃₁BrO₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
414.14057157199994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₁BrO₄
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canonical SMILES
O=C(OCC(Br)=CC=COC(=O)CCC1CC1CCCCCCC)C
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Identifiers
InChI
InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3
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InChIKey
IGWLQLNRNKKQCR-UHFFFAOYSA-N
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PubChem CID
85102926
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IGWLQLNRNKKQCR-UHFFFAOYSA-N
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