1-[4-[3-(4-methyl-3-nitro-phenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-[3,3,3-tris(fluoranyl)propyl]phenyl]ethanone

Systemtic Name: 1-[4-[3-(4-methyl-3-nitro-phenoxy)-2-oxidanyl-propoxy]-2-oxidanyl-3-[3,3,3-tris(fluoranyl)propyl]phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[2-hydroxy-3-(4-methyl-3-nitro-phenoxy)propoxy]-3-(3,3,3-trifluoropropyl)phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[2-hydroxy-3-(4-methyl-3-nitrophenoxy)propoxy]-3-(3,3,3-trifluoropropyl)phenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[2-hydroxy-3-(4-methyl-3-nitrophenoxy)propoxy]-3-(3,3,3-trifluoropropyl)phenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[2-hydroxy-3-(4-methyl-3-nitro-phenoxy)propoxy]-3-(3,3,3-trifluoropropyl)phenyl]ethanone Formula: C21H22F3NO7 MolecularWeight: 457.39709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(COC2=C(C(=C(C=C2)C(=O)C)O)CCC(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(COC2=C(C(=C(C=C2)C(=O)C)O)CCC(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3NO7/c1-12-3-4-15(9-18(12)25(29)30)31-10-14(27)11-32-19-6-5-16(13(2)26)20(28)17(19)7-8-21(22,23)24/h3-6,9,14,27-28H,7-8,10-11H2,1-2H3