5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(6-oxidanylhexyl)benzoic acid

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(6-oxidanylhexyl)benzoic acid Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(6-hydroxyhexyl)-2-nitro-benzoic acid CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(6-hydroxyhexyl)-2-nitrobenzoic acid IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(6-hydroxyhexyl)-2-nitrobenzoic acid Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(6-hydroxyhexyl)-2-nitro-benzoic acid Formula: C20H19ClF3NO6 MolecularWeight: 461.81617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C(=C2)C(=O)O)[N+](=O)[O-])CCCCCCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C(=C2)C(=O)O)[N+](=O)[O-])CCCCCCO

InChI

InChI=1S/C20H19ClF3NO6/c21-16-10-13(20(22,23)24)6-7-17(16)31-14-9-12(5-3-1-2-4-8-26)18(25(29)30)15(11-14)19(27)28/h6-7,9-11,26H,1-5,8H2,(H,27,28)