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3-methylsulfonyl-2-(trifluoromethyl)quinoxaline-6-carboxylic acid

3-methylsulfonyl-2-(trifluoromethyl)quinoxaline-6-carboxylic acid

Systemtic Name:3-methylsulfonyl-2-(trifluoromethyl)quinoxaline-6-carboxylic acid
Openeye Name:3-methylsulfonyl-2-(trifluoromethyl)quinoxaline-6-carboxylic acid
CAS Name:3-methylsulfonyl-2-(trifluoromethyl)-6-quinoxalinecarboxylic acid
IUPAC Name:3-methylsulfonyl-2-(trifluoromethyl)quinoxaline-6-carboxylic acid
Traditional Name:3-mesyl-2-(trifluoromethyl)quinoxaline-6-carboxylic acid
Formula: C11H7F3N2O4S
MolecularWeight: 320.24449
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(C=CC(=C2)C(=O)O)N=C1C(F)(F)F


Isomeric SMILES

CS(=O)(=O)C1=NC2=C(C=CC(=C2)C(=O)O)N=C1C(F)(F)F


InChI

InChI=1S/C11H7F3N2O4S/c1-21(19,20)9-8(11(12,13)14)15-6-3-2-5(10(17)18)4-7(6)16-9/h2-4H,1H3,(H,17,18)


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