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(Q82901801)
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English
3-[(3-Ethenyloxiran-2-yl)methyl]-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
group of stereoisomers with the chemical formula C₂₁H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
344.19875937599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1OC1CC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C[C@@H]1O[C@@H]1CC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H28O4/c1-7-16-18(24-16)9-13-12(4)17(10-15(13)22)25-20(23)19-14(8-11(2)3)21(19,5)6/h7-8,14,16-19H,1,9-10H2,2-6H3/t14-,16+,17?,18-,19+/m1/s1
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InChIKey
YLTSKUZRLHIDSU-IVKSPPNPSA-N
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CAS Registry Number
131380-59-1
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PubChem CID
183044
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68454504
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30927175
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DSSTOX compound identifier
DTXCID701355974
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