6-nitro-2-phenyl-4-[2,2,2-tris(fluoranyl)ethoxy]-1,2-benzothiazol-3-one

Systemtic Name: 6-nitro-2-phenyl-4-[2,2,2-tris(fluoranyl)ethoxy]-1,2-benzothiazol-3-one Openeye Name: 6-nitro-2-phenyl-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one CAS Name: 6-nitro-2-phenyl-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one IUPAC Name: 6-nitro-2-phenyl-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one Traditional Name: 6-nitro-2-phenyl-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one Formula: C15H9F3N2O4S MolecularWeight: 370.30317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])OCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])OCC(F)(F)F

InChI

InChI=1S/C15H9F3N2O4S/c16-15(17,18)8-24-11-6-10(20(22)23)7-12-13(11)14(21)19(25-12)9-4-2-1-3-5-9/h1-7H,8H2