5,6-dihydrobenzo[b][1]benzothiepin-1-yl tris(fluoranyl)methanesulfonate

Systemtic Name: 5,6-dihydrobenzo[b][1]benzothiepin-1-yl tris(fluoranyl)methanesulfonate Openeye Name: 5,6-dihydrobenzo[b][1]benzothiepin-1-yl trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid 5,6-dihydrobenzo[b][1]benzothiepin-1-yl ester IUPAC Name: 5,6-dihydrobenzo[b][1]benzothiepin-1-yl trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid 5,6-dihydrobenzo[b][1]benzothiepin-1-yl ester Formula: C15H11F3O3S2 MolecularWeight: 360.37125

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2SC3=C1C=CC=C3OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC2=CC=CC=C2SC3=C1C=CC=C3OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H11F3O3S2/c16-15(17,18)23(19,20)21-12-6-3-5-11-9-8-10-4-1-2-7-13(10)22-14(11)12/h1-7H,8-9H2