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5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylic acid

5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylic acid

Systemtic Name:5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
Openeye Name:5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
CAS Name:5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
IUPAC Name:5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylic acid
Traditional Name:5-triflyloxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid
Formula: C8H10F3NO5S
MolecularWeight: 289.22891
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCN(C1)C(=O)O)OS(=O)(=O)C(F)(F)F


Isomeric SMILES

C1CC(=CCN(C1)C(=O)O)OS(=O)(=O)C(F)(F)F


InChI

InChI=1S/C8H10F3NO5S/c9-8(10,11)18(15,16)17-6-2-1-4-12(5-3-6)7(13)14/h3H,1-2,4-5H2,(H,13,14)


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