2,2,2-tris(fluoranyl)ethyl 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanesulfonate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanesulfonate Openeye Name: 2,2,2-trifluoroethyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethanesulfonate CAS Name: 2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethanesulfonic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethanesulfonate Traditional Name: 2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethanesulfonic acid 2,2,2-trifluoroethyl ester Formula: C16H12F3NO5S MolecularWeight: 387.33039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCS(=O)(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCS(=O)(=O)OCC(F)(F)F

InChI

InChI=1S/C16H12F3NO5S/c17-16(18,19)9-25-26(23,24)8-7-20-14(21)11-5-1-3-10-4-2-6-12(13(10)11)15(20)22/h1-6H,7-9H2