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4'-Nitrobenzo-18-crown 6-Ether

Catalog Number
ACM53408961-1
CAS Number
53408-96-1
Product Name
4'-Nitrobenzo-18-crown 6-Ether
Structure
Category
Macrocycles; Supramolecular Host Materials
IUPAC Name
20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Molecular Weight
357.36g/mol
Molecular Formula
C16H23NO8
Canonical SMILES
C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
InChI
InChI=1S/C16H23NO8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2
InChI Key
LQXOKBZWNFJJGI-UHFFFAOYSA-N
Complexity
365
Covalently-Bonded Unit Count
1
Exact Mass
357.142367g/mol
Formal Charge
0
Heavy Atom Count
25
Monoisotopic Mass
357.142367g/mol
Rotatable Bond Count
0
XLogP3
0.1
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