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(Q105275894)
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English
3-ethyl-4-[(4E)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]oxetan-2-one
group of stereoisomers with the chemical formula C₂₁H₃₆O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
352.261359632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₄
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canonical SMILES
O=C1OC(C1CC)C(C)CC(=CC(C(=O)C(C)C(O)C(C)CC)C)C
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isomeric SMILES
CCC(C)C(O)C(C)C(=O)C(C)/C=C(\C)CC(C)C1OC(=O)C1CC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H36O4/c1-8-13(4)18(22)16(7)19(23)14(5)10-12(3)11-15(6)20-17(9-2)21(24)25-20/h10,13-18,20,22H,8-9,11H2,1-7H3/b12-10+
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InChIKey
UNBMQQNYLCPCHS-ZRDIBKRKSA-N
0 references
PubChem CID
5819825
1 reference
matched by identifier from
InChIKey
InChIKey
UNBMQQNYLCPCHS-ZRDIBKRKSA-N
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