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2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate

2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate

Systemtic Name:2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate
Openeye Name:2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate
CAS Name:2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate
IUPAC Name:2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate
Traditional Name:2-(trifluoromethyl)-1H-perimidin-3-ium-6-sulfonate
Formula: C12H7F3N2O3S
MolecularWeight: 316.25579
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)NC(=[NH+]3)C(F)(F)F)S(=O)(=O)[O-]


Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)NC(=[NH+]3)C(F)(F)F)S(=O)(=O)[O-]


InChI

InChI=1S/C12H7F3N2O3S/c13-12(14,15)11-16-7-3-1-2-6-9(21(18,19)20)5-4-8(17-11)10(6)7/h1-5H,(H,16,17)(H,18,19,20)


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