5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-nitro-benzoic acid

Systemtic Name: 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-nitro-benzoic acid Openeye Name: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-nitro-benzoic acid CAS Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoic acid IUPAC Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoic acid Traditional Name: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-nitro-benzoic acid Formula: C14H7ClF3NO5 MolecularWeight: 361.65729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)F)F

InChI

InChI=1S/C14H7ClF3NO5/c1-5-10(16)9(15)13(12(18)11(5)17)24-6-2-3-8(19(22)23)7(4-6)14(20)21/h2-4H,1H3,(H,20,21)