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(Q76806310)
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English
1,3,3-trimethyl-2-[(3E)-penta-1,3-dien-2-yl]cyclohexene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
190.325
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂
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canonical SMILES
C=C(/C=C/C)C1=C(C)CCCC1(C)C
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C=C/C(=C)C1=C(CCCC1(C)C)C
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Identifiers
InChI
InChI=1S/C14H22/c1-6-8-11(2)13-12(3)9-7-10-14(13,4)5/h6,8H,2,7,9-10H2,1,3-5H3/b8-6+
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InChIKey
XEUHSZMVHNGCKF-SOFGYWHQSA-N
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CAS Registry Number
23726-91-2
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PubChem CID
91759532
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UniChem compound ID
100603819
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID7051890
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID0030451
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