[3-ethyl-2-(phenylmethyl)-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-ethyl-2-(phenylmethyl)-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: (2-benzyl-3-ethyl-benzothiophen-5-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-ethyl-2-(phenylmethyl)-1-benzothiophen-5-yl] ester IUPAC Name: (2-benzyl-3-ethyl-1-benzothiophen-5-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-benzyl-3-ethyl-benzothiophen-5-yl) ester Formula: C18H15F3O3S2 MolecularWeight: 400.43511

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(SC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C18H15F3O3S2/c1-2-14-15-11-13(24-26(22,23)18(19,20)21)8-9-16(15)25-17(14)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3