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7-oxidanylidene-6-(trifluoromethylsulfonyl)-2H-azepine-1-carboxylic acid

7-oxidanylidene-6-(trifluoromethylsulfonyl)-2H-azepine-1-carboxylic acid

Systemtic Name:7-oxidanylidene-6-(trifluoromethylsulfonyl)-2H-azepine-1-carboxylic acid
Openeye Name:7-oxo-6-(trifluoromethylsulfonyl)-2H-azepine-1-carboxylic acid
CAS Name:7-oxo-6-(trifluoromethylsulfonyl)-2H-azepine-1-carboxylic acid
IUPAC Name:7-oxo-6-(trifluoromethylsulfonyl)-2H-azepine-1-carboxylic acid
Traditional Name:7-keto-6-triflyl-2H-azepine-1-carboxylic acid
Formula: C8H6F3NO5S
MolecularWeight: 285.19715
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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C(=O)N1C(=O)O)S(=O)(=O)C(F)(F)F


Isomeric SMILES

C1C=CC=C(C(=O)N1C(=O)O)S(=O)(=O)C(F)(F)F


InChI

InChI=1S/C8H6F3NO5S/c9-8(10,11)18(16,17)5-3-1-2-4-12(6(5)13)7(14)15/h1-3H,4H2,(H,14,15)


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