4-(trifluoromethylsulfonyloxy)-2,3,6,7-tetrahydroazepine-1-carboxylic acid

Systemtic Name: 4-(trifluoromethylsulfonyloxy)-2,3,6,7-tetrahydroazepine-1-carboxylic acid Openeye Name: 4-(trifluoromethylsulfonyloxy)-2,3,6,7-tetrahydroazepine-1-carboxylic acid CAS Name: 4-(trifluoromethylsulfonyloxy)-2,3,6,7-tetrahydroazepine-1-carboxylic acid IUPAC Name: 4-(trifluoromethylsulfonyloxy)-2,3,6,7-tetrahydroazepine-1-carboxylic acid Traditional Name: 4-triflyloxy-2,3,6,7-tetrahydroazepine-1-carboxylic acid Formula: C8H10F3NO5S MolecularWeight: 289.22891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=C1)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCC(=C1)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C8H10F3NO5S/c9-8(10,11)18(15,16)17-6-2-1-4-12(5-3-6)7(13)14/h2H,1,3-5H2,(H,13,14)