(Q105112847)

English

(3Z)-5-(acetyloxy)-4-bromopenta-1,3-dien-1-yl 3-(2-heptylcyclopropyl)propanoate

group of stereoisomers with the chemical formula C₂₀H₃₁BrO₄

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Statements

group of stereoisomers

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chemical compound

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414.14057157200006 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₁BrO₄

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canonical SMILES

O=C(OCC(Br)=CC=COC(=O)CCC1CC1CCCCCCC)C

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isomeric SMILES

CCCCCCCC1CC1CCC(=O)OC=C/C=C(\Br)COC(C)=O

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based on heuristic

inferred from InChI

Identifiers

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/b13-8?,19-10-

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IGWLQLNRNKKQCR-RWPYOMKHSA-N

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