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

Systemtic Name: 3-[3-carboxy-4-nitro-2-[2,3,6-tris(fluoranyl)-4-methyl-phenyl]phenoxy]-6-nitro-2-[2,3,6-tris(fluoranyl)-4-methyl-phenyl]benzoic acid Openeye Name: 3-[3-carboxy-4-nitro-2-(2,3,6-trifluoro-4-methyl-phenyl)phenoxy]-6-nitro-2-(2,3,6-trifluoro-4-methyl-phenyl)benzoic acid CAS Name: 3-[3-carboxy-4-nitro-2-(2,3,6-trifluoro-4-methylphenyl)phenoxy]-6-nitro-2-(2,3,6-trifluoro-4-methylphenyl)benzoic acid IUPAC Name: 3-[3-carboxy-4-nitro-2-(2,3,6-trifluoro-4-methylphenyl)phenoxy]-6-nitro-2-(2,3,6-trifluoro-4-methylphenyl)benzoic acid Traditional Name: 3-[3-carboxy-4-nitro-2-(2,3,6-trifluoro-4-methyl-phenyl)phenoxy]-6-nitro-2-(2,3,6-trifluoro-4-methyl-phenyl)benzoic acid Formula: C28H14F6N2O9 MolecularWeight: 636.409179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)F)C2=C(C=CC(=C2C(=O)O)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C(=O)O)C4=C(C=C(C(=C4F)F)C)F)F

Isomeric SMILES

CC1=CC(=C(C(=C1F)F)C2=C(C=CC(=C2C(=O)O)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C(=O)O)C4=C(C=C(C(=C4F)F)C)F)F

InChI

InChI=1S/C28H14F6N2O9/c1-9-7-11(29)17(25(33)23(9)31)21-15(5-3-13(35(41)42)19(21)27(37)38)45-16-6-4-14(36(43)44)20(28(39)40)22(16)18-12(30)8-10(2)24(32)26(18)34/h3-8H,1-2H3,(H,37,38)(H,39,40)