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ethyl 7-nitro-3-oxidanidyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxylate

ethyl 7-nitro-3-oxidanidyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxylate

Systemtic Name:ethyl 7-nitro-3-oxidanidyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxylate
Openeye Name:ethyl 7-nitro-3-oxido-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxylate
CAS Name:7-nitro-3-oxido-5-(trifluoromethylthio)-1,3-benzothiazol-3-ium-2-carboxylic acid ethyl ester
IUPAC Name:ethyl 7-nitro-3-oxido-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxylate
Traditional Name:7-nitro-3-oxido-5-(trifluoromethylthio)-1,3-benzothiazol-3-ium-2-carboxylic acid ethyl ester
Formula: C11H7F3N2O5S2
MolecularWeight: 368.30889
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=CC(=C2S1)[N+](=O)[O-])SC(F)(F)F)[O-]


Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=CC(=C2S1)[N+](=O)[O-])SC(F)(F)F)[O-]


InChI

InChI=1S/C11H7F3N2O5S2/c1-2-21-10(17)9-15(18)6-3-5(23-11(12,13)14)4-7(16(19)20)8(6)22-9/h3-4H,2H2,1H3


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