2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid

Systemtic Name: 2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Openeye Name: 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid CAS Name: 2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid IUPAC Name: 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Traditional Name: 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Formula: C11H10F3NO4S MolecularWeight: 309.26161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)O)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)O)C(=O)C(F)(F)F

InChI

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