CAS 53408-96-1 4'-Nitrobenzo-18-crown 6-Ether

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4'-Nitrobenzo-18-crown 6-Ether

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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

Exact Mass

357.142367g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

357.142367g/mol

Rotatable Bond Count

XLogP3

0.1

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