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(Q7071991)
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O-1057
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
522.345757952
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₄₆N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CCC2C(C1)c1c(OC(=O)CCCN3CCOCC3)cc(C(C)(C)CCCCC#N)cc1OC2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCCN3CCOCC3)cc(C(C)(C)CCCCC#N)cc1OC2(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/9829239
retrieved
April 2018
InChIKey
YRDNBEPFVBMTNP-CLJLJLNGSA-N
1 reference
based on heuristic
inferred from InChI
PubChem CID
9829239
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
1013858
1 reference
stated in
UniChem
Freebase ID
/m/03ybp7q
0 references
Sitelinks
Wikipedia
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enwiki
O-1057
shwiki
O-1057
srwiki
O-1057
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