(5-oxidanylidene-6H-benzo[b][1]benzothiepin-1-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (5-oxidanylidene-6H-benzo[b][1]benzothiepin-1-yl) tris(fluoranyl)methanesulfonate Openeye Name: (5-oxo-6H-benzo[b][1]benzothiepin-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (5-oxo-6H-benzo[b][1]benzothiepin-1-yl) ester IUPAC Name: (5-oxo-6H-benzo[b][1]benzothiepin-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (5-keto-6H-benzo[b][1]benzothiepin-1-yl) ester Formula: C15H9F3O4S2 MolecularWeight: 374.35477

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC=C3OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC=C3OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H9F3O4S2/c16-15(17,18)24(20,21)22-12-6-3-5-10-11(19)8-9-4-1-2-7-13(9)23-14(10)12/h1-7H,8H2