(Q104948161)

English

[(4R)-4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate

group of stereoisomers with the chemical formula C₁₇H₂₅BrO₄

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Statements

group of stereoisomers

0 references

{4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl}methyl acetate

1 reference

based on heuristic

inferred from SMILES

372.09362137999995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₂₅BrO₄

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canonical SMILES

O=C(OCC12OOC(C=C1)(CC2)C3CCC(Br)C(C)(C)C3)C

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isomeric SMILES

CC(=O)OCC12C=C[C@]([C@H]3CC[C@H](Br)C(C)(C)C3)(CC1)OO2

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Identifiers

InChI=1S/C17H25BrO4/c1-12(19)20-11-16-6-8-17(9-7-16,22-21-16)13-4-5-14(18)15(2,3)10-13/h6,8,13-14H,4-5,7,9-11H2,1-3H3/t13-,14-,16?,17+/m0/s1

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BXPQIWLMEKLSCR-VZEYSKEKSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BXPQIWLMEKLSCR-VZEYSKEKSA-N

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