methyl 7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxylate

Systemtic Name: methyl 7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxylate Openeye Name: methyl 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxylate CAS Name: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxylate Traditional Name: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxylic acid methyl ester Formula: C10H5F3N2O5S MolecularWeight: 322.21731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=C(S1)C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=C(S1)C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C10H5F3N2O5S/c1-20-9(16)8-14(17)5-2-4(10(11,12)13)3-6(15(18)19)7(5)21-8/h2-3H,1H3