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4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane

4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane

Systemtic Name:4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane
Openeye Name:4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane
CAS Name:4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane
IUPAC Name:4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane
Traditional Name:4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazepane
Formula: C12H13F3N2O2S
MolecularWeight: 306.30403
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

C1CN(CCSC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C12H13F3N2O2S/c13-12(14,15)9-2-3-10(11(8-9)17(18)19)16-4-1-6-20-7-5-16/h2-3,8H,1,4-7H2


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