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(Q82922009)
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English
Methyl 1a,2-diformyl-5,5-dimethyl-1a,3a,4,5,6,6a-hexahydrocyclopropa[e]indene-6b(1H)-carboxylate
group of stereoisomers with the chemical formula C₁₆H₂₀O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
276.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C12CC1(C=O)C(C=O)=CC1CC(C)(C)CC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H20O4/c1-14(2)5-10-4-11(7-17)15(9-18)8-16(15,12(10)6-14)13(19)20-3/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,15-,16?/m1/s1
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InChIKey
WWEGKHYWESCXOK-CCZPAOOHSA-N
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CAS Registry Number
2213-00-5
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PubChem CID
16655
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57539984
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10944769
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DSSTOX compound identifier
DTXCID201373101
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