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1-[4-[2,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonylazepane

1-[4-[2,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonylazepane

Systemtic Name:1-[4-[2,4-bis(fluoranyl)phenoxy]-3-nitro-phenyl]sulfonylazepane
Openeye Name:1-[4-(2,4-difluorophenoxy)-3-nitro-phenyl]sulfonylazepane
CAS Name:1-[4-(2,4-difluorophenoxy)-3-nitrophenyl]sulfonylazepane
IUPAC Name:1-[4-(2,4-difluorophenoxy)-3-nitrophenyl]sulfonylazepane
Traditional Name:1-[4-(2,4-difluorophenoxy)-3-nitro-phenyl]sulfonylazepane
Formula: C18H18F2N2O5S
MolecularWeight: 412.407726
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)[N+](=O)[O-]


InChI

InChI=1S/C18H18F2N2O5S/c19-13-5-7-17(15(20)11-13)27-18-8-6-14(12-16(18)22(23)24)28(25,26)21-9-3-1-2-4-10-21/h5-8,11-12H,1-4,9-10H2


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