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(Q82842546)
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English
5-[7-(But-2-en-1-yl)-1H-indol-3-yl]-3-hydroxy-2-[2-(propan-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
450.19434269199996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₂₆N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=CCc1cccc2c(C3=CC(=O)C(c4c(C(C)C)[nH]c5ccccc45)=C(O)C3=O)c[nH]c12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H26N2O3/c1-4-5-9-17-10-8-12-18-21(15-30-27(17)18)20-14-23(32)25(29(34)28(20)33)24-19-11-6-7-13-22(19)31-26(24)16(2)3/h4-8,10-16,30-31,34H,9H2,1-3H3
0 references
InChIKey
OCDQUWWJEHEUOU-UHFFFAOYSA-N
0 references
CAS Registry Number
78860-34-1
0 references
PubChem CID
71434187
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60909485
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10849629
0 references
DSSTOX compound identifier
DTXCID50800370
0 references
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