2,2,2-tris(fluoranyl)ethyl 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 3-chloranyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: 2,2,2-trifluoroethyl 3-chloro-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-nitro-1-benzothiophene-2-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-nitro-benzothiophene-2-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C11H5ClF3NO4S MolecularWeight: 339.67491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)OCC(F)(F)F

InChI

InChI=1S/C11H5ClF3NO4S/c12-8-6-2-1-5(16(18)19)3-7(6)21-9(8)10(17)20-4-11(13,14)15/h1-3H,4H2