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(Q83051270)
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English
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1R,3R)-
group of stereoisomers with the chemical formula C₁₇H₂₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
274.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CCC1=C(C)C(OC(=O)C2C(C=C)C2(C)C)CC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CCC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C)C2(C)C)CC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H22O3/c1-6-8-11-10(3)14(9-13(11)18)20-16(19)15-12(7-2)17(15,4)5/h6-7,12,14-15H,1-2,8-9H2,3-5H3/t12-,14?,15+/m1/s1
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InChIKey
CZWVPEYYVZCJLA-ATFAPYMMSA-N
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CAS Registry Number
260359-57-7
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PubChem CID
44150280
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62587443
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00180679
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DSSTOX compound identifier
DTXCID90103170
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CAB ID
19077
1 reference
stated in
CAB Thesaurus
retrieved
6 April 2020
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