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English
Bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
168.093900384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C1=C\C=C2\C=C/C=C\C=C(\C=C/1)C2
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=C\C=C2\C=C/C=C\C=C(\C=C/1)C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H12/c1-3-7-12-9-5-2-6-10-13(11-12)8-4-1/h1-10H,11H2/b3-1-,4-1?,5-2?,6-2-,7-3?,8-4-,9-5-,10-6?,12-7-,12-9?,13-8?,13-10-
0 references
InChIKey
QEXJUYTYAMLQAT-NQHLUFPFSA-N
0 references
CAS Registry Number
40985-77-1
0 references
PubChem CID
102414117
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
110915963
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30786860
0 references
DSSTOX compound identifier
DTXCID60737603
0 references
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