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English
Sodium {2-[(2-benzyl[1,1'-biphenyl]-4-yl)oxy]ethoxy}acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
384.13375343200005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₁NaO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C([O-])COCCOc1ccc(-c2ccccc2)c(Cc2ccccc2)c1.[Na+]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H22O4.Na/c24-23(25)17-26-13-14-27-21-11-12-22(19-9-5-2-6-10-19)20(16-21)15-18-7-3-1-4-8-18;/h1-12,16H,13-15,17H2,(H,24,25);/q;+1/p-1
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InChIKey
VSMMXAVZXBVQKU-UHFFFAOYSA-M
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CAS Registry Number
94825-61-3
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PubChem CID
23674304
1 reference
matched by identifier from
InChIKey
InChIKey
VSMMXAVZXBVQKU-UHFFFAOYSA-M
DSSTox substance ID
DTXSID90915290
0 references
DSSTOX compound identifier
DTXCID701344268
0 references
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