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(Q82246653)
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English
2-Cyclohexen-1-one, 5-(1-hydroxy-1-methyldecyl)-2-methyl-, (5R)-
group of stereoisomers with the chemical formula C₁₈H₃₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
280.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCC(C)(O)C1CC=C(C)C(=O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCC(C)(O)[C@@H]1CC=C(C)C(=O)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H32O2/c1-4-5-6-7-8-9-10-13-18(3,20)16-12-11-15(2)17(19)14-16/h11,16,20H,4-10,12-14H2,1-3H3/t16-,18?/m1/s1
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InChIKey
IIFAIQXAEXUOHZ-PYUWXLGESA-N
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CAS Registry Number
383877-59-6
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PubChem CID
9900366
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
34663283
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50432579
0 references
DSSTOX compound identifier
DTXCID60383407
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