2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-triflyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C11H10F3NO4S MolecularWeight: 309.26161

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H10F3NO4S/c12-11(13,14)20(18,19)15-6-8-4-2-1-3-7(8)5-9(15)10(16)17/h1-4,9H,5-6H2,(H,16,17)