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(Q76279309)
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English
trimethyl-[2-[4-[4-[(1R,2R)-2-methylcyclopropyl]-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]phenyl]ethynyl]silane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
342.165121222
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₆O₃Si
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canonical SMILES
CC1CC1C12COC(c3ccc(C#C[Si](C)(C)C)cc3)(OC1)OC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1C[C@H]1C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C[Si](C)(C)C
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Identifiers
InChI
InChI=1S/C20H26O3Si/c1-15-11-18(15)19-12-21-20(22-13-19,23-14-19)17-7-5-16(6-8-17)9-10-24(2,3)4/h5-8,15,18H,11-14H2,1-4H3/t15-,18-,19?,20?/m1/s1
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InChIKey
OMVHXNUHFGOVRE-QOFIHUKGSA-N
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CAS Registry Number
131505-52-7
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PubChem CID
3076496
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UniChem compound ID
26291339
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60157084
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID3079575
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