5,7a-dihydro-1H-2-benzothiophen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5,7a-dihydro-1H-2-benzothiophen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5,7a-dihydro-1H-2-benzothiophen-4-one; 2,2,2-trifluoroacetic acid CAS Name: 5,7a-dihydro-1H-2-benzothiophen-4-one; 2,2,2-trifluoroacetic acid IUPAC Name: 5,7a-dihydro-1H-2-benzothiophen-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 5,7a-dihydro-1H-isobenzothiophen-4-one; 2,2,2-trifluoroacetic acid Formula: C10H9F3O3S MolecularWeight: 266.23687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2CSC=C2C1=O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C=CC2CSC=C2C1=O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C8H8OS.C2HF3O2/c9-8-3-1-2-6-4-10-5-7(6)8;3-2(4,5)1(6)7/h1-2,5-6H,3-4H2;(H,6,7)