5-methylsulfonylpentyl 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 5-methylsulfonylpentyl 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 5-methylsulfonylpentyl 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 5-methylsulfonylpentyl ester IUPAC Name: 5-methylsulfonylpentyl 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 5-mesylpentyl ester Formula: C21H22F3NO7S MolecularWeight: 489.46209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCCCCS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCCCCS(=O)(=O)C

InChI

InChI=1S/C21H22F3NO7S/c1-14-12-15(21(22,23)24)6-9-19(14)32-16-7-8-18(25(27)28)17(13-16)20(26)31-10-4-3-5-11-33(2,29)30/h6-9,12-13H,3-5,10-11H2,1-2H3