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(Q105215437)
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English
[5-Bromo-2-(3-bromo-4-chloro-4-methylcyclohexyl)-2,6,6-trimethyloxan-3-yl] acetate
group of stereoisomers with the chemical formula C₁₇H₂₇Br₂ClO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
bisabolanes
1 reference
inferred from
bisabolanes
mass
472.001546604
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₇Br₂ClO₃
0 references
canonical SMILES
O=C(OC1CC(Br)C(OC1(C)C2CCC(Cl)(C)C(Br)C2)(C)C)C
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Identifiers
InChI
InChI=1S/C17H27Br2ClO3/c1-10(21)22-14-9-12(18)15(2,3)23-17(14,5)11-6-7-16(4,20)13(19)8-11/h11-14H,6-9H2,1-5H3
0 references
InChIKey
PVGGMHHFCWKSQT-UHFFFAOYSA-N
0 references
PubChem CID
73836900
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PVGGMHHFCWKSQT-UHFFFAOYSA-N
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