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(Q82459630)
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English
2,3,4,5-Tetrakis(4-tert-butylphenyl)cyclopenta-2,4-dien-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
608.401816284
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₅H₅₂O
0 references
canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C
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Identifiers
InChI
InChI=1S/C45H52O/c1-42(2,3)33-21-13-29(14-22-33)37-38(30-15-23-34(24-16-30)43(4,5)6)40(32-19-27-36(28-20-32)45(10,11)12)41(46)39(37)31-17-25-35(26-18-31)44(7,8)9/h13-28H,1-12H3
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InChIKey
JJWIUVKBQWRIJK-UHFFFAOYSA-N
0 references
CAS Registry Number
196505-83-6
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PubChem CID
15325941
1 reference
matched by identifier from
InChIKey
InChIKey
JJWIUVKBQWRIJK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL20161029
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJWIUVKBQWRIJK-UHFFFAOYSA-N
UniChem compound ID
49772279
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90571532
1 reference
matched by identifier from
InChIKey
InChIKey
JJWIUVKBQWRIJK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10522304
0 references
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