2-fluoranyl-6-methyl-4-[1,2,2-tris(4-carboxy-3-fluoranyl-5-methyl-phenyl)ethyl]benzoic acid

Systemtic Name: 2-fluoranyl-6-methyl-4-[1,2,2-tris(4-carboxy-3-fluoranyl-5-methyl-phenyl)ethyl]benzoic acid Openeye Name: 2-fluoro-6-methyl-4-[1,2,2-tris(4-carboxy-3-fluoro-5-methyl-phenyl)ethyl]benzoic acid CAS Name: 2-fluoro-6-methyl-4-[1,2,2-tris(4-carboxy-3-fluoro-5-methylphenyl)ethyl]benzoic acid IUPAC Name: 2-fluoro-6-methyl-4-[1,2,2-tris(4-carboxy-3-fluoro-5-methylphenyl)ethyl]benzoic acid Traditional Name: 2-fluoro-6-methyl-4-[1,2,2-tris(4-carboxy-3-fluoro-5-methyl-phenyl)ethyl]benzoic acid Formula: C34H26F4O8 MolecularWeight: 638.559053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC(=C(C(=C2)F)C(=O)O)C)C(C3=CC(=C(C(=C3)F)C(=O)O)C)C4=CC(=C(C(=C4)F)C(=O)O)C)F)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC(=C(C(=C2)F)C(=O)O)C)C(C3=CC(=C(C(=C3)F)C(=O)O)C)C4=CC(=C(C(=C4)F)C(=O)O)C)F)C(=O)O

InChI

InChI=1S/C34H26F4O8/c1-13-5-17(9-21(35)25(13)31(39)40)29(18-6-14(2)26(32(41)42)22(36)10-18)30(19-7-15(3)27(33(43)44)23(37)11-19)20-8-16(4)28(34(45)46)24(38)12-20/h5-12,29-30H,1-4H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)