5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-(3-methyl-3-oxidanyl-butyl)-2-nitro-benzoate

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-(3-methyl-3-oxidanyl-butyl)-2-nitro-benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-3-methyl-butyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-3-methylbutyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-3-methylbutyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-3-methyl-butyl)-2-nitro-benzoate Formula: C19H16ClF3NO6- MolecularWeight: 446.78165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(C)(CCC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C19H17ClF3NO6/c1-18(2,27)6-5-10-7-12(9-13(17(25)26)16(10)24(28)29)30-15-4-3-11(8-14(15)20)19(21,22)23/h3-4,7-9,27H,5-6H2,1-2H3,(H,25,26)/p-1