(5-bromanyl-6-oxidanyl-2,3-dihydro-1-benzothiophen-2-yl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (5-bromanyl-6-oxidanyl-2,3-dihydro-1-benzothiophen-2-yl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (5-bromo-6-hydroxy-2,3-dihydrobenzothiophen-2-yl)ammonium; 2,2,2-trifluoroacetate CAS Name: (5-bromo-6-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: (5-bromo-6-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)azanium; 2,2,2-trifluoroacetate Traditional Name: (5-bromo-6-hydroxy-2,3-dihydrobenzothiophen-2-yl)ammonium; 2,2,2-trifluoroacetate Formula: C10H9BrF3NO3S MolecularWeight: 360.14757

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC(=C(C=C21)Br)O)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C(SC2=CC(=C(C=C21)Br)O)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C8H8BrNOS.C2HF3O2/c9-5-1-4-2-8(10)12-7(4)3-6(5)11;3-2(4,5)1(6)7/h1,3,8,11H,2,10H2;(H,6,7)