(3a-cyano-4-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3a-cyano-4-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) tris(fluoranyl)methanesulfonate Openeye Name: (3a-cyano-4-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3a-cyano-4-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) ester IUPAC Name: (3a-cyano-4-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3a-cyano-4-keto-2,3-dihydro-1H-pyrrol[1,2-a]indol-5-yl) ester Formula: C13H9F3N2O4S MolecularWeight: 346.28177

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(C(=O)C3=C(N2C1)C=CC=C3OS(=O)(=O)C(F)(F)F)C#N

Isomeric SMILES

C1CC2(C(=O)C3=C(N2C1)C=CC=C3OS(=O)(=O)C(F)(F)F)C#N

InChI

InChI=1S/C13H9F3N2O4S/c14-13(15,16)23(20,21)22-9-4-1-3-8-10(9)11(19)12(7-17)5-2-6-18(8)12/h1,3-4H,2,5-6H2