[9-fluoranyl-3-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl] methanesulfonate

Systemtic Name: [9-fluoranyl-3-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl] methanesulfonate Openeye Name: [9-fluoro-3-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl] methanesulfonate CAS Name: methanesulfonic acid [9-fluoro-3-(trifluoromethyl)-5-benzo[b][1]benzothiepinyl] ester IUPAC Name: [9-fluoro-3-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [9-fluoro-3-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl] ester Formula: C16H10F4O3S2 MolecularWeight: 390.372413

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H10F4O3S2/c1-25(21,22)23-13-6-9-2-4-11(17)8-15(9)24-14-5-3-10(7-12(13)14)16(18,19)20/h2-8H,1H3